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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_39/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_39.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 = 39 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 39 3900
main_MD> Size of nv and nvoiz: 39 3900
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 = 39
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> -3.0431504256138161E-002 -0.12560712356521739 -0.14144417358503311 initial drift of cluster / NP1 for coalescence
init> 0.36504629840254754 0.35112974018244042 0.31660330501872558 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6912320798597304E-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) -1.56227 1.59135 2.79150
force_rgl> df(natom) 0.47283 -2.63905 0.87924
preparo> THERMALIZATION PROCESS AT 1176.4181555726418
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -82.271594318759313 6.5624260245343171 -88.834020343293631 6.2602295390092695E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 35
FREEZING PROCESS: loop number 1 T-loop= 1157.0000000000000
main_MD> interactions number 1 at Temperature= 1157.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.89479 1.86654 3.17356
force_rgl> df(natom) -1.38376 -1.13744 1.74708
5.0000 -89.69953 -83.75171 5.94781 2.80491 -82.79268 1194.11827
10.0000 -88.73987 -82.60849 6.13137 2.80242 -82.82134 1228.78811
15.0000 -88.72535 -82.38814 6.33721 2.80274 -82.81756 1211.24022
20.0000 -90.99470 -84.98083 6.01387 2.71546 -83.82135 1141.18081
25.0000 -90.06088 -84.93695 5.12393 2.66429 -84.40978 1091.00772
30.0000 -90.11811 -85.30336 4.81474 2.65021 -84.57169 1034.51938
35.0000 -89.54390 -84.22226 5.32163 2.63308 -84.76871 1047.28141
40.0000 -90.12931 -82.76332 7.36598 2.70491 -83.94265 1148.10700
45.0000 -90.27601 -84.90443 5.37159 2.75342 -83.38484 1163.76209
50.0000 -92.25503 -86.04700 6.20803 2.53509 -85.89563 1008.00411
55.0000 -90.89395 -84.70966 6.18429 2.67004 -84.34366 1142.96215
60.0000 -89.91519 -83.72503 6.19016 2.69593 -84.04594 1134.12320
65.0000 -90.28151 -84.03736 6.24415 2.71963 -83.77343 1193.91335
70.0000 -90.78705 -85.63095 5.15610 2.60344 -85.10962 1053.78940
75.0000 -90.51710 -85.31895 5.19814 2.61953 -84.92462 1011.25258
80.0000 -89.87640 -84.93310 4.94330 2.62215 -84.89441 1051.85245
85.0000 -90.76250 -84.72484 6.03766 2.59462 -85.21109 1028.59103
90.0000 -90.07357 -85.69644 4.37714 2.57680 -85.41596 1037.77433
95.0000 -90.66362 -85.41849 5.24513 2.61445 -84.98303 1016.82759
100.0000 -88.21291 -82.82931 5.38360 2.67596 -84.27562 1067.92922
105.0000 -88.76846 -83.64145 5.12701 2.75772 -83.33533 1163.40421
110.0000 -88.72232 -82.39520 6.32712 2.76930 -83.20221 1224.50337
115.0000 -89.46449 -84.35350 5.11098 2.75293 -83.39043 1195.41866
120.0000 -89.98863 -84.98179 5.00684 2.59944 -85.15562 1017.81838
125.0000 -89.23943 -83.44465 5.79478 2.66588 -84.39152 1103.34116
130.0000 -89.80903 -84.06412 5.74490 2.74223 -83.51352 1188.60935
135.0000 -90.49120 -83.91328 6.57792 2.75488 -83.36807 1126.30123
140.0000 -91.44300 -85.68713 5.75587 2.61207 -85.01042 1058.46856
145.0000 -90.48716 -85.48433 5.00283 2.55994 -85.60988 1036.25339
150.0000 -88.61818 -83.97647 4.64171 2.58169 -85.35975 1038.23736
155.0000 -89.98732 -83.47544 6.51188 2.72212 -83.74480 1103.01861
160.0000 -89.37980 -83.64930 5.73050 2.77164 -83.17531 1165.55618
165.0000 -89.66569 -83.11614 6.54956 2.68962 -84.11847 1119.97593
170.0000 -89.33434 -84.13136 5.20298 2.73587 -83.58668 1141.51427
175.0000 -87.81036 -83.53255 4.27782 2.64982 -84.57622 1074.27294
180.0000 -88.69334 -83.31584 5.37750 2.70164 -83.98026 1115.25259
185.0000 -89.70824 -82.87834 6.82990 2.80598 -82.78040 1164.27519
190.0000 -89.02381 -83.08791 5.93590 2.81864 -82.63476 1253.53824
195.0000 -89.12393 -82.58106 6.54287 2.76598 -83.24033 1190.98698
200.0000 -88.99005 -81.95001 7.04004 2.82870 -82.51901 1266.72558
205.0000 -89.79970 -83.09223 6.70747 2.79256 -82.93467 1245.55096
210.0000 -88.61493 -81.44484 7.17009 2.84194 -82.36677 1269.66968
215.0000 -89.91044 -83.85282 6.05762 2.81619 -82.66291 1200.07193
220.0000 -90.71167 -84.48935 6.22232 2.68701 -84.14850 1132.47089
225.0000 -89.17807 -84.79747 4.38060 2.67671 -84.26698 1079.68823
230.0000 -89.14016 -82.94346 6.19669 2.74122 -83.52509 1176.77733
235.0000 -88.64553 -82.58523 6.06030 2.89029 -81.81075 1324.96265
240.0000 -88.77484 -82.61280 6.16204 2.85415 -82.22641 1251.67439
245.0000 -88.64722 -83.30111 5.34611 2.75410 -83.37694 1142.83092
250.0000 -88.18409 -81.54723 6.63686 2.75108 -83.41166 1170.23649
FREEZING PROCESS: loop number 2 T-loop= 1132.0000000000000
main_MD> interactions number 2 at Temperature= 1132.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.54821 -1.22033 -2.83013
force_rgl> df(natom) -1.37462 -0.01489 0.37641
255.0000 -87.89451 -82.27758 5.61694 2.81840 -82.63753 1207.33271
260.0000 -89.87573 -82.72029 7.15544 2.80297 -82.81495 1262.61926
265.0000 -90.18465 -83.76551 6.41914 2.86372 -82.11631 1223.97494
270.0000 -90.95631 -85.47882 5.47748 2.64681 -84.61083 1093.91723
275.0000 -89.89778 -84.85314 5.04464 2.61860 -84.93533 1053.21291
280.0000 -89.70957 -85.26727 4.44230 2.65515 -84.51492 1093.49176
285.0000 -90.01375 -84.33283 5.68092 2.54835 -85.74321 1033.57535
290.0000 -89.88013 -85.03773 4.84240 2.65016 -84.57231 1094.97648
295.0000 -90.04414 -84.45413 5.59001 2.60788 -85.05850 1082.38287
300.0000 -90.13822 -84.41495 5.72327 2.68803 -84.13681 1095.75524
305.0000 -89.67253 -83.86251 5.81002 2.76285 -83.27639 1175.44127
310.0000 -88.84181 -83.00425 5.83756 2.84047 -82.38373 1270.24908
315.0000 -89.70863 -84.42005 5.28858 2.65252 -84.54521 1079.78244
320.0000 -90.70952 -86.73778 3.97174 2.60373 -85.10630 1095.90703
325.0000 -89.99558 -84.88489 5.11070 2.54855 -85.74083 1004.75472
330.0000 -87.77496 -82.16768 5.60729 2.73788 -83.56347 1191.40729
335.0000 -88.34079 -81.74263 6.59816 2.84009 -82.38802 1272.91594
340.0000 -88.99591 -81.73070 7.26522 2.82602 -82.54991 1225.72024
345.0000 -89.02077 -84.33476 4.68601 2.83016 -82.50229 1264.06972
350.0000 -89.94617 -85.47038 4.47579 2.65707 -84.49291 1089.07652
355.0000 -90.61973 -85.22667 5.39306 2.64117 -84.67572 1065.98129
360.0000 -90.54928 -86.10637 4.44291 2.58654 -85.30401 1005.33785
365.0000 -90.73446 -84.21220 6.52226 2.54984 -85.72599 1007.20957
370.0000 -90.72758 -84.77175 5.95583 2.69131 -84.09906 1122.50704
375.0000 -90.21634 -83.35182 6.86452 2.69148 -84.09712 1142.91355
380.0000 -88.63760 -84.06730 4.57030 2.69397 -84.06849 1116.09852
385.0000 -90.15226 -82.23536 7.91690 2.68154 -84.21143 1161.30077
390.0000 -89.85106 -84.03158 5.81948 2.77252 -83.16513 1243.33014
395.0000 -90.35285 -84.75253 5.60032 2.60327 -85.11152 1053.00769
400.0000 -89.86258 -84.66437 5.19821 2.63788 -84.71349 1112.25198
405.0000 -88.65131 -82.54363 6.10768 2.76033 -83.30539 1213.71692
410.0000 -89.23211 -83.02322 6.20889 2.81929 -82.62727 1204.05760
415.0000 -90.30862 -84.18105 6.12758 2.69695 -84.03421 1131.72842
420.0000 -90.34291 -83.57511 6.76780 2.65879 -84.47304 1108.41598
425.0000 -90.81607 -84.45288 6.36319 2.77489 -83.13792 1190.76377
430.0000 -89.41313 -84.07273 5.34040 2.69803 -84.02180 1077.87920
435.0000 -89.22857 -83.93593 5.29264 2.62777 -84.82980 1023.38507
440.0000 -91.34942 -84.03485 7.31456 2.81436 -82.68401 1200.57248
445.0000 -90.63180 -84.53687 6.09493 2.68696 -84.14912 1116.36693
450.0000 -90.24779 -83.34605 6.90175 2.71941 -83.77596 1164.55728
455.0000 -90.73905 -85.14601 5.59303 2.67123 -84.33004 1062.44156
460.0000 -90.28020 -85.69186 4.58834 2.56331 -85.57115 1047.53472
465.0000 -90.20980 -84.16827 6.04153 2.67122 -84.33011 1135.15573
470.0000 -88.38135 -82.99054 5.39080 2.74433 -83.48935 1178.24593
475.0000 -89.68913 -83.76356 5.92557 2.74961 -83.42863 1129.26694
480.0000 -88.64836 -82.22079 6.42757 2.71953 -83.77455 1129.99553
485.0000 -89.49221 -83.72398 5.76823 2.80639 -82.77558 1202.51487
490.0000 -88.19974 -82.08016 6.11958 2.72311 -83.73332 1146.36713
495.0000 -88.89056 -83.47476 5.41580 2.80690 -82.76979 1145.95628
500.0000 -91.26499 -84.48470 6.78029 2.71005 -83.88359 1175.71731
FREEZING PROCESS: loop number 3 T-loop= 1107.0000000000000
main_MD> interactions number 3 at Temperature= 1107.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.16620 -2.30904 0.95016
force_rgl> df(natom) -4.27766 -1.58445 0.73643
505.0000 -89.29943 -83.39908 5.90035 2.67439 -84.29365 1133.40071
510.0000 -90.28744 -84.45231 5.83513 2.67398 -84.29840 1135.83539
515.0000 -89.76529 -84.99014 4.77515 2.61191 -85.01225 1020.14984
520.0000 -88.21055 -82.16442 6.04613 2.75239 -83.39660 1153.44685
525.0000 -89.34461 -83.84653 5.49808 2.83102 -82.49242 1204.19490
530.0000 -88.65558 -83.66129 4.99429 2.70902 -83.89545 1127.22812
535.0000 -88.92083 -83.18792 5.73291 2.76684 -83.23052 1199.99249
540.0000 -92.45957 -86.63712 5.82245 2.54375 -85.79608 1005.34783
545.0000 -88.84190 -83.11898 5.72292 2.57089 -85.48399 1021.73410
550.0000 -89.43069 -83.90526 5.52543 2.79887 -82.86206 1148.12730
555.0000 -89.54338 -84.75834 4.78503 2.64151 -84.67181 1124.81385
560.0000 -90.06854 -83.78585 6.28269 2.62610 -84.84906 1095.18601
565.0000 -89.44342 -83.86476 5.57865 2.74134 -83.52367 1213.19261
570.0000 -89.56077 -84.52596 5.03481 2.64569 -84.62374 1098.75638
575.0000 -90.11133 -83.55158 6.55975 2.75949 -83.31497 1212.53246
580.0000 -90.25749 -83.91878 6.33870 2.74287 -83.50611 1184.35628
585.0000 -88.97268 -83.22614 5.74654 2.69845 -84.01692 1171.58248
590.0000 -90.12446 -86.04073 4.08373 2.64426 -84.64020 1039.57848
595.0000 -89.93818 -84.72150 5.21668 2.58473 -85.32483 1037.85972
600.0000 -90.18497 -84.03853 6.14645 2.65721 -84.49124 1085.89073
605.0000 -89.42143 -83.71037 5.71106 2.76317 -83.27271 1220.84477
610.0000 -91.03370 -85.76003 5.27367 2.64526 -84.62873 1130.08233
615.0000 -88.71176 -83.82209 4.88967 2.67870 -84.24413 1144.68501
620.0000 -90.02121 -82.11703 7.90418 2.72322 -83.73214 1123.19435
625.0000 -89.64395 -83.24485 6.39909 2.78624 -83.00741 1205.52612
630.0000 -87.67317 -82.63830 5.03487 2.83540 -82.44198 1245.82329
635.0000 -89.53651 -84.58874 4.94777 2.68769 -84.14070 1114.59989
640.0000 -89.70441 -84.00987 5.69454 2.69698 -84.03390 1120.52507
645.0000 -89.53455 -84.23606 5.29849 2.65991 -84.46024 1064.32391
650.0000 -89.12529 -83.36810 5.75719 2.70060 -83.99224 1137.40563
655.0000 -90.52311 -84.17104 6.35207 2.73343 -83.61469 1191.60586
660.0000 -89.42252 -82.73686 6.68566 2.68759 -84.14183 1097.72925
665.0000 -90.20011 -85.06568 5.13443 2.70915 -83.89398 1133.38590
670.0000 -88.51846 -81.84509 6.67337 2.73680 -83.57598 1138.33901
675.0000 -91.11748 -84.56363 6.55385 2.84596 -82.32059 1272.01509
680.0000 -88.65490 -83.26992 5.38498 2.66235 -84.43214 1130.50060
685.0000 -88.73457 -82.50445 6.23012 2.89047 -81.80870 1266.17211
690.0000 -88.95857 -81.60312 7.35545 2.84672 -82.31187 1269.79879
695.0000 -90.14218 -84.30465 5.83753 2.77123 -83.18004 1228.29794
700.0000 -89.87623 -83.32059 6.55564 2.68089 -84.21896 1167.95989
705.0000 -88.09679 -81.87761 6.21918 2.71914 -83.77901 1184.90027
710.0000 -89.24624 -82.68626 6.55998 2.82538 -82.55726 1260.52741
715.0000 -89.69517 -82.46440 7.23077 2.81620 -82.66282 1285.43428
720.0000 -89.81944 -83.65387 6.16557 2.74852 -83.44119 1200.02409
725.0000 -89.97641 -84.08903 5.88738 2.73173 -83.63420 1192.66067
730.0000 -90.62400 -85.41571 5.20829 2.67965 -84.23320 1123.32339
735.0000 -89.39182 -84.15540 5.23642 2.66309 -84.42364 1116.50393
740.0000 -90.99143 -84.82174 6.16970 2.66377 -84.41578 1100.15050
745.0000 -91.01484 -85.25419 5.76065 2.57980 -85.38145 1065.49686
750.0000 -90.92856 -86.13428 4.79428 2.56429 -85.55990 1018.13141
FREEZING PROCESS: loop number 4 T-loop= 1082.0000000000000
main_MD> interactions number 4 at Temperature= 1082.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.08241 6.18775 -0.14530
force_rgl> df(natom) -2.51049 -1.88540 0.06421
755.0000 -90.24775 -85.29466 4.95309 2.53942 -85.84589 969.40002
760.0000 -89.06624 -81.87980 7.18644 2.65252 -84.54521 1081.87503
765.0000 -87.79649 -82.78858 5.00791 2.85105 -82.26203 1263.25323
770.0000 -90.67755 -85.03555 5.64200 2.73934 -83.54668 1170.01553
775.0000 -89.96520 -84.48106 5.48414 2.51570 -86.11870 970.94630
780.0000 -89.47274 -82.96548 6.50726 2.65051 -84.56826 1148.13933
785.0000 -88.56313 -82.65432 5.90881 2.76055 -83.30276 1155.67473
790.0000 -90.08059 -84.66657 5.41402 2.75956 -83.31422 1148.25218
795.0000 -89.13597 -84.40729 4.72869 2.65920 -84.46836 1125.55877
800.0000 -90.72720 -85.85581 4.87139 2.57358 -85.45305 984.53282
805.0000 -90.35481 -84.22276 6.13206 2.64345 -84.64945 1043.24963
810.0000 -88.99839 -82.28830 6.71008 2.73069 -83.64622 1188.96369
815.0000 -90.70927 -84.72486 5.98441 2.72665 -83.69262 1134.48400
820.0000 -90.63676 -84.32024 6.31653 2.66467 -84.40546 1104.07874
825.0000 -89.41907 -83.10943 6.30965 2.73925 -83.54774 1135.28186
830.0000 -89.00028 -83.67998 5.32030 2.76156 -83.29119 1166.28627
835.0000 -89.25923 -83.27731 5.98192 2.72291 -83.73566 1149.55397
840.0000 -87.68747 -80.93391 6.75356 2.86588 -82.09144 1231.31075
845.0000 -89.18195 -84.21693 4.96502 2.81017 -82.73211 1204.74246
850.0000 -90.86277 -85.20352 5.65925 2.56797 -85.51752 1005.40853
855.0000 -89.63807 -84.92071 4.71736 2.64175 -84.66901 1115.31653
860.0000 -89.05376 -83.31353 5.74023 2.69563 -84.04941 1112.27612
865.0000 -89.47420 -84.72374 4.75047 2.71922 -83.77806 1191.58924
870.0000 -89.67753 -84.05924 5.61829 2.68863 -84.12996 1135.03837
875.0000 -91.07340 -85.83547 5.23793 2.62850 -84.82143 1074.33621
880.0000 -91.45538 -85.93082 5.52456 2.50825 -86.20435 942.23282
885.0000 -91.02528 -86.48523 4.54005 2.55056 -85.71776 999.41057
890.0000 -90.37459 -85.40709 4.96750 2.53522 -85.89422 1004.90204
895.0000 -89.21020 -83.42568 5.78452 2.64559 -84.62484 1154.83685
900.0000 -88.38841 -82.45882 5.92959 2.80822 -82.75455 1198.06976
905.0000 -89.04443 -82.72689 6.31754 2.80529 -82.78826 1255.66990
910.0000 -88.28849 -82.17951 6.10898 2.85238 -82.24677 1240.20639
915.0000 -90.42794 -84.59415 5.83379 2.75973 -83.31221 1200.26896
920.0000 -90.48324 -85.13761 5.34564 2.61030 -85.03078 1049.84598
925.0000 -90.32016 -82.94425 7.37591 2.64714 -84.60704 1102.57773
930.0000 -90.10778 -83.81692 6.29086 2.71725 -83.80074 1167.27927
935.0000 -88.84108 -84.03573 4.80535 2.67894 -84.24137 1077.32115
940.0000 -90.84568 -85.04679 5.79889 2.59237 -85.23691 1017.34985
945.0000 -89.65956 -84.05756 5.60200 2.62413 -84.87168 1080.91943
950.0000 -89.66729 -83.53440 6.13289 2.70119 -83.98550 1117.58301
955.0000 -89.31661 -82.81290 6.50371 2.77233 -83.16728 1140.63644
960.0000 -88.89141 -82.62755 6.26387 2.83715 -82.42192 1239.12036
965.0000 -90.05138 -84.63594 5.41544 2.71165 -83.86513 1154.88371
970.0000 -89.32882 -84.07470 5.25412 2.68709 -84.14761 1155.47927
975.0000 -88.97027 -83.29105 5.67922 2.73825 -83.55930 1196.40864
980.0000 -89.92738 -85.05702 4.87036 2.67199 -84.32126 1076.72613
985.0000 -91.59742 -86.51349 5.08392 2.46816 -86.66541 951.63092
990.0000 -91.08491 -86.21402 4.87089 2.48358 -86.48809 982.18088
995.0000 -90.36898 -86.06790 4.30109 2.60452 -85.09722 1030.96287
1000.0000 -90.06357 -84.48031 5.58327 2.66166 -84.44008 1079.33032
FREEZING PROCESS: loop number 5 T-loop= 1057.0000000000000
main_MD> interactions number 5 at Temperature= 1057.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.24626 0.74036 0.90158
force_rgl> df(natom) -1.70911 -4.61110 3.13854
1005.0000 -90.04219 -85.06331 4.97888 2.61105 -85.02207 1050.56042
1010.0000 -90.94981 -86.41270 4.53711 2.57778 -85.40471 1028.07166
1015.0000 -91.41671 -86.58407 4.83263 2.47840 -86.54761 962.27927
1020.0000 -91.69558 -86.89285 4.80272 2.46128 -86.74451 904.73068
1025.0000 -89.16407 -83.44720 5.71687 2.56104 -85.59723 1016.99484
1030.0000 -90.11897 -84.46615 5.65282 2.75304 -83.38920 1178.78528
1035.0000 -88.00596 -83.61080 4.39516 2.72835 -83.67314 1163.85112
1040.0000 -89.78395 -84.11972 5.66423 2.73494 -83.59734 1166.19657
1045.0000 -91.58526 -85.69985 5.88541 2.63116 -84.79082 1091.25438
1050.0000 -90.01200 -84.69471 5.31729 2.58518 -85.31966 1059.14777
1055.0000 -88.62486 -83.19347 5.43139 2.68670 -84.15208 1127.57288
1060.0000 -90.06049 -84.12715 5.93334 2.64403 -84.64287 1087.17631
1065.0000 -91.25030 -86.32395 4.92635 2.54428 -85.79003 1046.27250
1070.0000 -90.40546 -85.44450 4.96096 2.52213 -86.04476 1017.55464
1075.0000 -90.52984 -85.19206 5.33777 2.58083 -85.36967 1085.22363
1080.0000 -90.98250 -86.46781 4.51469 2.51412 -86.13684 1013.26222
1085.0000 -91.79332 -87.47346 4.31987 2.45816 -86.78035 947.33171
1090.0000 -89.11690 -83.79125 5.32565 2.57739 -85.40922 1033.47738
1095.0000 -87.37325 -81.59863 5.77462 2.86449 -82.10747 1286.33114
1100.0000 -88.86081 -83.11944 5.74137 2.83078 -82.49514 1230.13833
1105.0000 -90.58316 -85.08216 5.50100 2.61540 -84.97204 1041.57836
1110.0000 -89.86481 -83.94305 5.92177 2.69155 -84.09628 1124.38860
1115.0000 -90.14343 -84.33059 5.81283 2.63970 -84.69263 1079.67151
1120.0000 -88.71355 -83.61063 5.10293 2.72773 -83.68029 1117.45717
1125.0000 -90.73185 -85.32179 5.41006 2.72484 -83.71351 1144.16311
1130.0000 -92.22634 -86.43382 5.79252 2.60917 -85.04373 1102.08140
1135.0000 -90.79216 -85.29557 5.49659 2.49923 -86.30802 960.87014
1140.0000 -90.42029 -86.70348 3.71681 2.56631 -85.53660 975.10954
1145.0000 -91.86967 -86.66960 5.20007 2.49216 -86.38933 949.98936
1150.0000 -90.86377 -85.24073 5.62304 2.52856 -85.97079 1013.92775
1155.0000 -92.04235 -85.46949 6.57286 2.57772 -85.40546 1047.08986
1160.0000 -89.44733 -83.98635 5.46098 2.56430 -85.55971 1054.61113
1165.0000 -90.37056 -85.49068 4.87988 2.58779 -85.28955 1049.34031
1170.0000 -91.56352 -85.77906 5.78446 2.53449 -85.90259 1030.32245
1175.0000 -90.15330 -85.72558 4.42771 2.51892 -86.08168 1014.03732
1180.0000 -90.48040 -84.01157 6.46883 2.58304 -85.34421 1056.02568
1185.0000 -90.30022 -84.75388 5.54634 2.67886 -84.24230 1162.79311
1190.0000 -89.32159 -84.83223 4.48937 2.65594 -84.50591 1118.52289
1195.0000 -90.68417 -83.84681 6.83736 2.65992 -84.46008 1103.03700
1200.0000 -92.06483 -85.52279 6.54205 2.59019 -85.26203 1025.48026
1205.0000 -89.28822 -84.16868 5.11954 2.69697 -84.03400 1115.17554
1210.0000 -90.24423 -84.18415 6.06008 2.64624 -84.61736 1103.11297
1215.0000 -90.37166 -83.58273 6.78893 2.63561 -84.73966 1090.43021
1220.0000 -90.13948 -84.01583 6.12365 2.70624 -83.92740 1091.41698
1225.0000 -90.70178 -83.30009 7.40169 2.73077 -83.64534 1198.16855
1230.0000 -90.22326 -84.76391 5.45934 2.67064 -84.33682 1091.59226
1235.0000 -91.90316 -87.28775 4.61541 2.57648 -85.41966 1028.70282
1240.0000 -92.49374 -87.31996 5.17379 2.38281 -87.64688 897.35119
1245.0000 -91.89881 -86.59074 5.30807 2.44340 -86.95012 899.01489
1250.0000 -91.08367 -86.30864 4.77503 2.47208 -86.62030 949.30788
FREEZING PROCESS: loop number 6 T-loop= 1032.0000000000000
main_MD> interactions number 6 at Temperature= 1032.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.36842 5.33845 0.45736
force_rgl> df(natom) -0.58138 0.59745 -3.04496
1255.0000 -91.46170 -86.78223 4.67947 2.48235 -86.50220 967.02768
1260.0000 -93.10693 -87.97779 5.12914 2.41322 -87.29718 917.80879
1265.0000 -90.78950 -85.94957 4.83993 2.43102 -87.09252 918.87129
1270.0000 -91.41412 -85.28249 6.13162 2.55430 -85.67470 1025.07593
1275.0000 -91.53731 -85.50989 6.02741 2.57760 -85.40675 1052.10845
1280.0000 -90.26471 -85.53483 4.72987 2.61142 -85.01779 1080.41942
1285.0000 -92.14175 -86.13747 6.00428 2.51127 -86.16961 954.01038
1290.0000 -89.97840 -84.86065 5.11775 2.56258 -85.57958 1047.72974
1295.0000 -90.45496 -85.14082 5.31414 2.61915 -84.92900 1069.74126
1300.0000 -88.90544 -83.81592 5.08952 2.59918 -85.15859 1011.30216
1305.0000 -89.41301 -85.06561 4.34740 2.62229 -84.89288 1035.31882
1310.0000 -91.13198 -86.02352 5.10846 2.59789 -85.17346 1057.23353
1315.0000 -89.92915 -84.17663 5.75252 2.64590 -84.62134 1115.47973
1320.0000 -90.42425 -84.99151 5.43274 2.60925 -85.04282 1072.35693
1325.0000 -89.12714 -84.35420 4.77294 2.66590 -84.39132 1109.93138
1330.0000 -90.09709 -84.40517 5.69192 2.67527 -84.28353 1067.34289
1335.0000 -90.38754 -85.32623 5.06131 2.56870 -85.50912 986.44776
1340.0000 -91.66983 -86.79220 4.87763 2.52821 -85.97480 979.77462
1345.0000 -90.88850 -85.45165 5.43685 2.47639 -86.57073 964.08520
1350.0000 -91.59239 -85.96699 5.62540 2.56006 -85.60850 1009.30817
1355.0000 -91.40522 -88.25827 3.14695 2.44681 -86.91093 923.81836
1360.0000 -92.15864 -87.48715 4.67148 2.39876 -87.46354 865.70122
1365.0000 -90.93368 -86.21589 4.71779 2.43746 -87.01842 903.94872
1370.0000 -90.39242 -86.61840 3.77402 2.54081 -85.82983 994.08170
1375.0000 -90.29198 -84.96139 5.33059 2.55872 -85.62393 1039.24630
1380.0000 -90.71342 -86.29672 4.41670 2.53783 -85.86414 977.95336
1385.0000 -91.31258 -85.79292 5.51966 2.57491 -85.43767 985.36348
1390.0000 -90.86480 -85.78859 5.07620 2.50899 -86.19582 1024.15100
1395.0000 -90.94984 -87.03958 3.91026 2.51717 -86.10181 1001.02995
1400.0000 -90.41510 -86.18377 4.23133 2.54521 -85.77926 1004.33319
1405.0000 -90.07544 -84.05443 6.02101 2.61443 -84.98322 1053.99877
1410.0000 -91.09480 -85.61516 5.47964 2.64096 -84.67811 1104.95379
1415.0000 -90.22680 -85.12604 5.10076 2.60926 -85.04264 1034.41852
1420.0000 -89.21348 -83.45536 5.75812 2.65548 -84.51113 1078.97738
1425.0000 -90.84800 -85.14372 5.70428 2.62336 -84.88059 1029.43474
1430.0000 -91.34036 -86.18936 5.15100 2.50126 -86.28469 951.77109
1435.0000 -89.01429 -83.57798 5.43632 2.70410 -83.95205 1085.37438
1440.0000 -91.39975 -85.92343 5.47632 2.53207 -85.93045 1017.58174
1445.0000 -90.37372 -85.43868 4.93504 2.48081 -86.51986 938.49783
1450.0000 -90.01821 -85.00370 5.01451 2.58736 -85.29453 1056.36234
1455.0000 -90.40779 -85.03634 5.37145 2.59467 -85.21045 1014.98106
1460.0000 -89.05683 -83.16166 5.89517 2.70467 -83.94543 1146.48474
1465.0000 -91.60817 -86.22867 5.37950 2.63609 -84.73414 1060.06523
1470.0000 -90.99848 -86.29872 4.69977 2.56047 -85.60379 1016.75424
1475.0000 -89.46335 -84.89312 4.57024 2.55051 -85.71831 1019.46586
1480.0000 -90.36691 -86.44138 3.92553 2.65170 -84.55459 1061.53655
1485.0000 -91.55395 -86.84154 4.71241 2.43258 -87.07454 917.48902
1490.0000 -89.00513 -84.81018 4.19494 2.51658 -86.10848 1004.19847
1495.0000 -89.28533 -83.96871 5.31662 2.68671 -84.15200 1116.57792
1500.0000 -91.13611 -85.31587 5.82024 2.61700 -84.95369 1018.37732
FREEZING PROCESS: loop number 7 T-loop= 1007.0000000000000
main_MD> interactions number 7 at Temperature= 1007.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.12599 1.56566 -0.67891
force_rgl> df(natom) -1.65405 1.31467 2.27952
1505.0000 -89.52544 -84.16516 5.36028 2.61983 -84.92115 1065.16095
1510.0000 -91.05882 -85.22125 5.83757 2.65194 -84.55180 1083.41104
1515.0000 -90.28637 -84.86270 5.42367 2.63939 -84.69618 1035.42782
1520.0000 -90.35219 -86.13317 4.21903 2.63019 -84.80199 1083.32703
1525.0000 -91.18477 -85.93716 5.24761 2.55295 -85.69026 993.86406
1530.0000 -90.87348 -86.11894 4.75453 2.59685 -85.18546 1030.92760
1535.0000 -91.60804 -87.75734 3.85070 2.43173 -87.08437 925.32281
1540.0000 -92.39987 -86.40528 5.99459 2.47305 -86.60912 961.62737
1545.0000 -91.38920 -86.91615 4.47305 2.44951 -86.87987 974.37371
1550.0000 -91.80779 -85.85387 5.95392 2.48119 -86.51550 956.36167
1555.0000 -91.36751 -86.14536 5.22215 2.56155 -85.59139 1012.50169
1560.0000 -90.84091 -87.01786 3.82305 2.43966 -86.99310 920.70869
1565.0000 -90.54596 -86.35644 4.18953 2.52978 -85.95671 930.31502
1570.0000 -90.35548 -84.57042 5.78506 2.61647 -84.95973 1030.15596
1575.0000 -91.00388 -86.37384 4.63004 2.55163 -85.70542 1012.72854
1580.0000 -91.13349 -86.43697 4.69652 2.51785 -86.09391 961.99903
1585.0000 -90.46328 -85.08470 5.37858 2.55268 -85.69334 995.11220
1590.0000 -91.09775 -86.66882 4.42893 2.59518 -85.20456 1030.20829
1595.0000 -90.20576 -85.65653 4.54923 2.51129 -86.16935 973.69889
1600.0000 -90.83390 -85.57816 5.25573 2.51355 -86.14336 938.96355
1605.0000 -90.93280 -85.38262 5.55017 2.58400 -85.33317 999.63376
1610.0000 -91.68746 -85.74293 5.94453 2.54453 -85.78705 1040.62877
1615.0000 -90.11916 -84.55459 5.56457 2.59540 -85.20213 1047.45531
1620.0000 -90.19587 -84.95224 5.24362 2.57648 -85.41962 1036.25510
1625.0000 -91.30469 -86.50558 4.79912 2.58775 -85.29001 997.69167
1630.0000 -91.82759 -86.70077 5.12682 2.47288 -86.61113 955.55744
1635.0000 -91.29031 -86.90326 4.38705 2.47531 -86.58311 987.37684
1640.0000 -91.85956 -86.72136 5.13819 2.47757 -86.55719 909.88611
1645.0000 -91.67483 -87.34945 4.32538 2.47469 -86.59026 938.19063
1650.0000 -90.35082 -86.09907 4.25176 2.50021 -86.29681 990.07382
1655.0000 -90.85814 -86.21242 4.64571 2.52770 -85.98067 971.24725
1660.0000 -90.36247 -85.09146 5.27101 2.49359 -86.37298 950.39483
1665.0000 -91.16963 -85.04965 6.11999 2.61623 -84.96255 1042.45552
1670.0000 -91.02444 -86.15126 4.87318 2.61831 -84.93859 1026.18676
1675.0000 -91.64227 -85.55397 6.08830 2.57395 -85.44874 1045.91810
1680.0000 -91.11253 -85.65927 5.45326 2.54830 -85.74375 1035.09624
1685.0000 -90.44028 -85.18871 5.25157 2.51068 -86.17637 974.97093
1690.0000 -91.49074 -87.41119 4.07955 2.48597 -86.46056 962.85527
1695.0000 -92.40072 -87.46791 4.93281 2.42391 -87.17432 909.71456
1700.0000 -92.45416 -87.14635 5.30781 2.44299 -86.95489 908.95939
1705.0000 -91.31156 -85.45095 5.86061 2.48641 -86.45548 967.46386
1710.0000 -91.38409 -84.98936 6.39473 2.56398 -85.56343 1053.89119
1715.0000 -90.41103 -84.61728 5.79375 2.60055 -85.14282 1038.97615
1720.0000 -91.00204 -86.04189 4.96015 2.64817 -84.59523 1073.61370
1725.0000 -88.78944 -84.20573 4.58372 2.55106 -85.71205 998.23570
1730.0000 -90.06695 -85.15287 4.91408 2.67416 -84.29632 1087.28982
1735.0000 -90.50282 -85.26956 5.23327 2.59166 -85.24509 1037.77106
1740.0000 -91.97951 -86.89162 5.08789 2.51243 -86.15631 967.06691
1745.0000 -91.86775 -87.50567 4.36209 2.42845 -87.12204 920.75142
1750.0000 -92.34641 -87.83856 4.50784 2.39178 -87.54375 860.55028
FREEZING PROCESS: loop number 8 T-loop= 982.00000000000000
main_MD> interactions number 8 at Temperature= 982.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.15440 1.57948 0.31451
force_rgl> df(natom) 0.05075 1.29893 -1.41520
1755.0000 -90.56737 -84.65678 5.91058 2.53156 -85.93623 980.41628
1760.0000 -91.44876 -86.53947 4.90928 2.52881 -85.96790 1014.33652
1765.0000 -91.63549 -86.04386 5.59163 2.44241 -86.96154 927.44945
1770.0000 -91.32806 -87.52548 3.80257 2.46461 -86.70619 949.51046
1775.0000 -90.94793 -86.35627 4.59166 2.40956 -87.33928 923.15231
1780.0000 -90.67920 -86.70562 3.97359 2.47775 -86.55507 930.36722
1785.0000 -90.66661 -85.70736 4.95925 2.56545 -85.54648 1006.25303
1790.0000 -90.08533 -84.47036 5.61498 2.55848 -85.62663 1000.90259
1795.0000 -90.31231 -85.31430 4.99801 2.61491 -84.97774 1034.47365
1800.0000 -91.44500 -85.81407 5.63093 2.50131 -86.28419 961.83675
1805.0000 -90.07182 -86.23453 3.83729 2.56093 -85.59854 1014.94253
1810.0000 -90.01244 -86.57366 3.43878 2.48178 -86.50875 959.53147
1815.0000 -92.15317 -87.52510 4.62807 2.44461 -86.93627 903.93069
1820.0000 -92.16141 -87.55025 4.61116 2.37365 -87.75227 880.69756
1825.0000 -90.95540 -87.53639 3.41902 2.35824 -87.92947 849.40795
1830.0000 -91.26052 -86.59876 4.66176 2.45053 -86.86810 943.24593
1835.0000 -90.42759 -85.99734 4.43025 2.53531 -85.89308 1001.07236
1840.0000 -89.33230 -84.63927 4.69303 2.57617 -85.42327 1041.80670
1845.0000 -90.13644 -85.43480 4.70165 2.63602 -84.73497 1057.25416
1850.0000 -89.51856 -85.07276 4.44580 2.54698 -85.75895 982.87148
1855.0000 -89.71878 -85.17603 4.54275 2.62059 -84.91234 1082.80111
1860.0000 -90.43518 -85.18512 5.25007 2.55251 -85.69530 1009.51237
1865.0000 -91.33083 -86.62567 4.70515 2.56127 -85.59459 1006.50111
1870.0000 -91.35639 -86.91408 4.44231 2.45667 -86.79748 940.10457
1875.0000 -91.99346 -87.11881 4.87464 2.48207 -86.50539 938.78780
1880.0000 -90.76925 -86.44455 4.32470 2.43041 -87.09948 915.50296
1885.0000 -90.66141 -85.92113 4.74027 2.47418 -86.59621 948.39393
1890.0000 -90.93552 -86.25541 4.68011 2.49974 -86.30221 963.34536
1895.0000 -91.18064 -86.46461 4.71603 2.50830 -86.20375 976.54434
1900.0000 -91.47657 -86.55999 4.91658 2.47045 -86.63906 918.30693
1905.0000 -90.76495 -85.29621 5.46874 2.53091 -85.94379 997.71285
1910.0000 -91.02037 -85.81911 5.20127 2.55729 -85.64038 1009.99978
1915.0000 -91.90560 -86.77761 5.12798 2.44571 -86.92351 970.65775
1920.0000 -91.65912 -87.09019 4.56893 2.43323 -87.06709 897.25475
1925.0000 -90.63899 -86.56667 4.07231 2.49713 -86.33222 915.62869
1930.0000 -90.95338 -86.83392 4.11946 2.48373 -86.48629 920.97163
1935.0000 -92.25679 -87.48212 4.77467 2.43092 -87.09361 922.66036
1940.0000 -91.63862 -86.84054 4.79807 2.41046 -87.32890 894.91902
1945.0000 -91.58171 -87.71298 3.86873 2.45696 -86.79420 899.81656
1950.0000 -91.74113 -86.70116 5.03997 2.41409 -87.28722 945.02201
1955.0000 -91.73456 -88.32834 3.40621 2.39590 -87.49645 886.68018
1960.0000 -90.96937 -86.19113 4.77824 2.38202 -87.65602 825.37041
1965.0000 -91.75184 -87.33317 4.41867 2.45602 -86.80504 923.12075
1970.0000 -92.80052 -89.06975 3.73077 2.35201 -88.00116 810.30727
1975.0000 -92.38020 -87.72582 4.65438 2.31023 -88.48166 816.91268
1980.0000 -92.75266 -86.81485 5.93781 2.42931 -87.11213 917.25930
1985.0000 -90.43243 -86.00343 4.42900 2.46853 -86.66110 944.21199
1990.0000 -91.66762 -87.28633 4.38129 2.47917 -86.53873 922.43465
1995.0000 -93.28024 -88.64827 4.63198 2.38901 -87.57569 881.37108
2000.0000 -92.16372 -87.74719 4.41653 2.37652 -87.71927 886.70012
FREEZING PROCESS: loop number 9 T-loop= 957.00000000000000
main_MD> interactions number 9 at Temperature= 957.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.65693 -1.42810 0.14405
force_rgl> df(natom) -3.10306 -1.03758 1.20536
2005.0000 -91.77156 -87.03359 4.73796 2.38963 -87.56851 881.17825
2010.0000 -92.47772 -88.49940 3.97832 2.39156 -87.54630 889.01400
2015.0000 -91.76310 -87.68492 4.07818 2.32956 -88.25928 828.71536
2020.0000 -92.68501 -88.27118 4.41382 2.37762 -87.70659 860.95826
2025.0000 -91.73500 -86.96391 4.77109 2.41452 -87.28223 895.66473
2030.0000 -90.17163 -85.48691 4.68472 2.54900 -85.73568 1011.70370
2035.0000 -91.18632 -86.21330 4.97302 2.54653 -85.76411 1009.36764
2040.0000 -91.13500 -86.05759 5.07742 2.58330 -85.34125 1071.78014
2045.0000 -90.34421 -85.23369 5.11053 2.52843 -85.97226 923.76916
2050.0000 -89.50423 -83.98839 5.51585 2.68184 -84.20804 1076.46158
2055.0000 -90.45613 -84.48419 5.97194 2.65396 -84.52867 1087.35545
2060.0000 -91.08316 -86.47943 4.60373 2.50684 -86.22054 1002.06747
2065.0000 -91.14260 -86.06440 5.07821 2.49533 -86.35294 970.37803
2070.0000 -90.41094 -85.18339 5.22755 2.51027 -86.18109 940.99952
2075.0000 -90.59992 -86.89152 3.70840 2.49005 -86.41359 909.33896
2080.0000 -91.12570 -86.35916 4.76654 2.47869 -86.54426 968.79491
2085.0000 -91.37987 -86.32966 5.05021 2.44790 -86.89835 967.51020
2090.0000 -90.16705 -84.73574 5.43131 2.53259 -85.92444 1019.25451
2095.0000 -89.42370 -85.08476 4.33894 2.59479 -85.20906 1014.29096
2100.0000 -92.07926 -87.20170 4.87755 2.54885 -85.73748 995.42960
2105.0000 -92.42778 -87.13519 5.29260 2.44227 -86.96310 896.22677
2110.0000 -90.56077 -86.02566 4.53511 2.51239 -86.15667 951.40619
2115.0000 -92.55960 -88.60023 3.95937 2.46178 -86.73879 898.39086
2120.0000 -90.58451 -85.53888 5.04563 2.47032 -86.64056 915.17534
2125.0000 -91.14098 -85.53856 5.60242 2.59373 -85.22127 1016.49455
2130.0000 -90.62783 -85.13335 5.49447 2.57222 -85.46870 1015.40089
2135.0000 -90.83100 -85.47111 5.35988 2.57177 -85.47379 1003.33129
2140.0000 -90.97904 -86.66721 4.31183 2.51966 -86.07310 926.08580
2145.0000 -91.67642 -87.74383 3.93259 2.39346 -87.52444 830.00869
2150.0000 -90.16340 -86.33798 3.82542 2.43725 -87.02080 938.03198
2155.0000 -90.90250 -86.30338 4.59913 2.54797 -85.74756 998.02413
2160.0000 -90.34794 -84.71341 5.63453 2.57838 -85.39777 979.91076
2165.0000 -90.23615 -85.09328 5.14287 2.54470 -85.78519 999.37269
2170.0000 -91.17356 -86.30120 4.87236 2.51571 -86.11853 974.27724
2175.0000 -91.52380 -86.74747 4.77633 2.49817 -86.32022 970.33885
2180.0000 -91.22161 -86.54673 4.67488 2.44097 -86.97809 904.01127
2185.0000 -92.38203 -87.93243 4.44960 2.42479 -87.16419 920.59635
2190.0000 -92.37229 -88.21477 4.15751 2.34459 -88.08648 858.42410
2195.0000 -92.08629 -85.92181 6.16448 2.38437 -87.62898 848.84396
2200.0000 -90.46780 -86.17843 4.28937 2.48652 -86.45425 963.37469
2205.0000 -90.85630 -86.52671 4.32959 2.51970 -86.07264 984.55806
2210.0000 -90.92889 -87.08109 3.84780 2.42366 -87.17713 915.66675
2215.0000 -91.34379 -87.51287 3.83092 2.39366 -87.52212 838.93567
2220.0000 -91.11859 -86.68605 4.43254 2.45515 -86.81500 893.28899
2225.0000 -92.22393 -87.48860 4.73533 2.42956 -87.10930 927.60695
2230.0000 -91.26927 -85.84139 5.42788 2.43513 -87.04519 936.64914
2235.0000 -91.18932 -86.45435 4.73497 2.51758 -86.09708 957.12124
2240.0000 -90.43174 -86.38716 4.04458 2.47521 -86.58435 927.56817
2245.0000 -92.27606 -86.96937 5.30669 2.49186 -86.39281 978.73817
2250.0000 -89.94208 -84.43019 5.51189 2.53240 -85.92663 980.37990
FREEZING PROCESS: loop number 10 T-loop= 932.00000000000000
main_MD> interactions number 10 at Temperature= 932.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.25702 -0.87699 2.53214
force_rgl> df(natom) -0.97321 -0.84363 -0.14909
2255.0000 -89.86697 -85.29964 4.56733 2.56582 -85.54230 1040.75506
2260.0000 -92.54599 -88.29533 4.25066 2.51315 -86.14796 983.23088
2265.0000 -91.15829 -86.52348 4.63481 2.39427 -87.51509 881.26511
2270.0000 -91.24734 -86.07863 5.16871 2.49400 -86.36826 954.83940
2275.0000 -91.00086 -85.91449 5.08637 2.54597 -85.77049 963.83075
2280.0000 -92.81512 -89.05424 3.76089 2.45514 -86.81516 929.63809
2285.0000 -91.52671 -87.27200 4.25471 2.36015 -87.90750 841.28338
2290.0000 -91.86442 -88.12587 3.73855 2.35771 -87.93560 864.69131
2295.0000 -91.23321 -87.83739 3.39582 2.34646 -88.06498 825.54982
2300.0000 -90.03157 -85.96306 4.06851 2.41911 -87.22950 845.30647
2305.0000 -91.15160 -85.51964 5.63196 2.55730 -85.64027 985.56328
2310.0000 -92.28936 -87.71042 4.57894 2.50237 -86.27196 959.29658
2315.0000 -90.70594 -85.98357 4.72236 2.51888 -86.08211 978.41037
2320.0000 -92.21007 -88.10315 4.10692 2.41145 -87.31760 868.72429
2325.0000 -93.16017 -88.68998 4.47019 2.29194 -88.69196 807.07208
2330.0000 -92.46369 -87.47474 4.98896 2.34137 -88.12354 881.69891
2335.0000 -90.81456 -85.39732 5.41724 2.56236 -85.58205 1054.06798
2340.0000 -89.75231 -85.79316 3.95916 2.56255 -85.57986 1033.59287
2345.0000 -91.12495 -85.75019 5.37476 2.50554 -86.23546 971.34559
2350.0000 -91.62228 -87.51978 4.10251 2.46835 -86.66314 907.25770
2355.0000 -91.52348 -87.11767 4.40581 2.44040 -86.98462 918.77239
2360.0000 -90.72678 -85.74471 4.98207 2.49046 -86.40892 944.39724
2365.0000 -90.25292 -84.63138 5.62154 2.56053 -85.60309 1008.89742
2370.0000 -90.52700 -85.40390 5.12311 2.54998 -85.72448 965.60978
2375.0000 -90.75905 -85.25915 5.49991 2.58104 -85.36720 1017.91096
2380.0000 -90.19279 -85.94525 4.24755 2.57795 -85.40273 983.50773
2385.0000 -91.42643 -87.05415 4.37228 2.49805 -86.32163 933.80951
2390.0000 -90.69123 -85.83394 4.85729 2.48328 -86.49153 931.21827
2395.0000 -91.27870 -86.34158 4.93712 2.57737 -85.40941 975.32494
2400.0000 -91.44589 -86.28832 5.15757 2.44832 -86.89355 937.38938
2405.0000 -90.15152 -85.07347 5.07805 2.50008 -86.29832 986.09193
2410.0000 -91.85540 -86.88700 4.96840 2.55821 -85.62983 1027.54147
2415.0000 -93.20609 -88.20415 5.00193 2.34321 -88.10232 810.29955
2420.0000 -91.53061 -87.18424 4.34637 2.37091 -87.78377 862.70502
2425.0000 -91.16803 -86.69267 4.47535 2.43193 -87.08201 916.44525
2430.0000 -92.11799 -87.12753 4.99045 2.48747 -86.44334 983.05986
2435.0000 -91.72592 -87.17977 4.54614 2.41348 -87.29420 933.50621
2440.0000 -92.16161 -87.24173 4.91988 2.41830 -87.23883 939.54393
2445.0000 -92.41244 -88.22599 4.18645 2.43459 -87.05143 933.99514
2450.0000 -91.60938 -86.88626 4.72312 2.36589 -87.84151 893.95636
2455.0000 -90.55584 -85.44364 5.11219 2.60062 -85.14203 1040.28790
2460.0000 -91.85745 -87.47200 4.38545 2.44288 -86.95606 895.62790
2465.0000 -91.39608 -86.29799 5.09809 2.39452 -87.51229 883.86512
2470.0000 -92.45239 -88.08842 4.36397 2.43724 -87.02097 903.43724
2475.0000 -91.44225 -87.42307 4.01918 2.39256 -87.53480 849.40003
2480.0000 -93.25513 -88.97371 4.28141 2.32705 -88.28822 825.64250
2485.0000 -93.51785 -88.97693 4.54091 2.29855 -88.61600 835.08075
2490.0000 -92.23925 -88.32909 3.91015 2.37961 -87.68369 885.21801
2495.0000 -92.17318 -87.81456 4.35862 2.31637 -88.41102 832.25220
2500.0000 -92.98802 -88.75419 4.23383 2.38957 -87.56922 886.11071
FREEZING PROCESS: loop number 11 T-loop= 907.00000000000000
main_MD> interactions number 11 at Temperature= 907.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.58699 4.46381 3.86583
force_rgl> df(natom) 0.93703 -0.12542 -0.52210
2505.0000 -92.19168 -88.36274 3.82894 2.33908 -88.14979 827.84385
2510.0000 -91.74137 -87.59710 4.14427 2.34029 -88.13593 856.46371
2515.0000 -92.22702 -87.95054 4.27647 2.37891 -87.69183 874.32441
2520.0000 -92.26372 -87.13311 5.13060 2.35562 -87.95967 872.59969
2525.0000 -92.55452 -87.69394 4.86058 2.39996 -87.44974 884.21924
2530.0000 -90.26718 -86.32853 3.93865 2.43338 -87.06541 866.78080
2535.0000 -91.33136 -87.22252 4.10884 2.43474 -87.04967 864.43503
2540.0000 -91.83760 -87.37924 4.45836 2.42488 -87.16307 941.93103
2545.0000 -91.59929 -86.85970 4.73959 2.47112 -86.63136 923.58012
2550.0000 -92.84418 -88.00633 4.83785 2.36678 -87.83123 822.25984
2555.0000 -92.08447 -87.82439 4.26008 2.33925 -88.14794 864.47528
2560.0000 -92.76819 -88.04278 4.72540 2.38731 -87.59521 892.03813
2565.0000 -91.06218 -85.73047 5.33171 2.42862 -87.12012 937.06585
2570.0000 -91.77067 -87.53567 4.23500 2.47960 -86.53382 948.78149
2575.0000 -90.91880 -85.55651 5.36229 2.47396 -86.59873 894.20632
2580.0000 -91.25997 -86.58503 4.67494 2.52213 -86.04471 1008.17949
2585.0000 -91.31562 -86.68570 4.62992 2.48301 -86.49458 903.36874
2590.0000 -93.37745 -88.42045 4.95700 2.35223 -87.99857 841.72480
2595.0000 -91.99625 -86.86597 5.13029 2.41391 -87.28926 939.62037
2600.0000 -91.45588 -86.39317 5.06271 2.45545 -86.81150 945.97548
2605.0000 -91.60041 -87.34898 4.25144 2.43631 -87.03164 920.23341
2610.0000 -92.21543 -88.28262 3.93281 2.37093 -87.78361 891.96972
2615.0000 -91.50075 -87.96245 3.53830 2.34633 -88.06650 825.65585
2620.0000 -90.97018 -86.64728 4.32290 2.49123 -86.40003 922.59929
2625.0000 -91.65198 -86.64708 5.00490 2.49555 -86.35033 933.84273
2630.0000 -90.90932 -85.72102 5.18830 2.50428 -86.24994 956.50569
2635.0000 -91.16320 -85.90192 5.26128 2.58012 -85.37782 1000.92233
2640.0000 -90.86451 -87.05318 3.81133 2.48183 -86.50816 977.87188
2645.0000 -91.84593 -87.42560 4.42033 2.40822 -87.35472 886.35072
2650.0000 -91.50236 -87.02695 4.47541 2.48255 -86.49985 968.78213
2655.0000 -92.35584 -87.87103 4.48481 2.38865 -87.57981 899.76302
2660.0000 -91.43097 -86.59453 4.83643 2.43918 -86.99866 923.59349
2665.0000 -90.51335 -86.69673 3.81662 2.47826 -86.54927 932.39476
2670.0000 -91.40297 -87.76219 3.64078 2.46748 -86.67318 921.54363
2675.0000 -91.42372 -86.97866 4.44507 2.37623 -87.72260 863.39387
2680.0000 -91.52290 -87.00565 4.51725 2.48203 -86.50587 942.13926
2685.0000 -92.65677 -88.55333 4.10345 2.38155 -87.66144 833.34530
2690.0000 -93.61273 -90.29677 3.31597 2.24525 -89.22889 783.58697
2695.0000 -92.44125 -88.63921 3.80205 2.29275 -88.68260 819.42395
2700.0000 -91.73373 -88.07882 3.65491 2.33118 -88.24067 836.78079
2705.0000 -93.23481 -88.44516 4.78964 2.35062 -88.01713 882.20909
2710.0000 -92.97801 -88.61972 4.35829 2.30374 -88.55625 809.78976
2715.0000 -91.92904 -87.82095 4.10810 2.30984 -88.48616 820.39438
2720.0000 -90.69297 -85.35268 5.34029 2.46869 -86.65928 958.28773
2725.0000 -91.35280 -86.78566 4.56714 2.50423 -86.25060 988.16775
2730.0000 -90.62023 -86.55609 4.06414 2.45431 -86.82466 896.31235
2735.0000 -92.52111 -88.17376 4.34735 2.39727 -87.48065 893.25327
2740.0000 -91.85694 -87.29703 4.55990 2.40839 -87.35272 878.83947
2745.0000 -91.98039 -87.01988 4.96051 2.41365 -87.29227 917.60894
2750.0000 -91.57919 -86.14626 5.43293 2.45963 -86.76348 942.77708
FREEZING PROCESS: loop number 12 T-loop= 882.00000000000000
main_MD> interactions number 12 at Temperature= 882.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.40560 -3.58125 3.99281
force_rgl> df(natom) -3.19823 -1.78753 4.28900
2755.0000 -92.49996 -88.16766 4.33230 2.44656 -86.91377 940.34153
2760.0000 -92.19392 -88.45435 3.73957 2.34873 -88.03884 851.34153
2765.0000 -91.95569 -87.09444 4.86125 2.39706 -87.48301 844.22211
2770.0000 -92.22625 -87.24434 4.98191 2.40931 -87.34216 867.48708
2775.0000 -90.82958 -86.30702 4.52256 2.47509 -86.58570 920.85095
2780.0000 -91.77894 -87.43112 4.34782 2.41334 -87.29578 901.25723
2785.0000 -91.65657 -87.26693 4.38964 2.39012 -87.56283 851.82613
2790.0000 -92.14455 -86.71457 5.42997 2.43052 -87.09821 966.01990
2795.0000 -90.82662 -86.65706 4.16956 2.43168 -87.08488 888.34934
2800.0000 -91.59032 -86.87824 4.71209 2.41869 -87.23430 865.95590
2805.0000 -92.67760 -87.92726 4.75034 2.41188 -87.31257 883.71303
2810.0000 -91.30014 -87.13365 4.16649 2.38914 -87.57415 885.55373
2815.0000 -91.78586 -87.31460 4.47126 2.43050 -87.09847 899.62617
2820.0000 -91.05628 -87.14103 3.91525 2.42254 -87.19001 896.67778
2825.0000 -91.57671 -87.11292 4.46379 2.43806 -87.01150 881.32746
2830.0000 -92.14243 -87.80453 4.33789 2.39341 -87.52502 855.20986
2835.0000 -91.10445 -87.41897 3.68547 2.32789 -88.27855 781.85247
2840.0000 -93.24404 -88.97671 4.26733 2.31759 -88.39694 804.24757
2845.0000 -92.43996 -88.39231 4.04764 2.31332 -88.44613 803.58985
2850.0000 -92.38554 -88.10096 4.28457 2.30771 -88.51061 832.07336
2855.0000 -91.66798 -88.02145 3.64653 2.34094 -88.12846 821.31489
2860.0000 -91.94522 -86.54522 5.40000 2.38193 -87.65703 866.99846
2865.0000 -91.06479 -86.90127 4.16351 2.43571 -87.03851 940.71588
2870.0000 -91.90243 -87.71006 4.19238 2.37771 -87.70564 852.69547
2875.0000 -91.03091 -86.52427 4.50664 2.41081 -87.32490 891.46931
2880.0000 -92.57072 -87.21457 5.35614 2.37446 -87.74299 867.34327
2885.0000 -92.51708 -88.14217 4.37491 2.35621 -87.95290 868.10028
2890.0000 -93.23633 -88.32822 4.90811 2.31255 -88.45494 850.72666
2895.0000 -91.37604 -86.98302 4.39302 2.43827 -87.00913 936.09044
2900.0000 -92.60535 -88.11113 4.49422 2.42533 -87.15796 900.48628
2905.0000 -92.82059 -88.02975 4.79084 2.34271 -88.10806 873.98673
2910.0000 -92.14544 -88.39742 3.74801 2.35961 -87.91379 851.15130
2915.0000 -91.34264 -86.99939 4.34325 2.38744 -87.59374 866.65064
2920.0000 -91.02144 -85.76575 5.25569 2.50975 -86.18707 1000.61100
2925.0000 -91.32624 -85.13080 6.19544 2.56032 -85.60554 1010.31021
2930.0000 -90.79802 -86.41448 4.38354 2.54104 -85.82723 1026.27080
2935.0000 -92.51295 -88.31123 4.20172 2.34662 -88.06314 829.30556
2940.0000 -92.24164 -87.68635 4.55529 2.29804 -88.62178 781.68002
2945.0000 -91.39786 -86.54964 4.84823 2.41224 -87.30853 856.53509
2950.0000 -92.54536 -87.95740 4.58796 2.46348 -86.71926 935.68323
2955.0000 -91.53412 -86.93013 4.60399 2.38283 -87.64667 886.64892
2960.0000 -91.50448 -86.63242 4.87206 2.44353 -86.94864 956.09306
2965.0000 -91.31253 -86.86807 4.44445 2.50365 -86.25727 1025.88534
2970.0000 -92.21412 -87.31020 4.90392 2.42621 -87.14779 930.74927
2975.0000 -91.87567 -87.60000 4.27567 2.43428 -87.05496 941.42143
2980.0000 -91.28591 -87.79564 3.49027 2.42577 -87.15286 907.45029
2985.0000 -91.68110 -86.57167 5.10944 2.40196 -87.42666 843.41840
2990.0000 -92.63606 -87.31916 5.31691 2.42430 -87.16981 911.70844
2995.0000 -90.91645 -85.93788 4.97858 2.53982 -85.84129 1030.55942
3000.0000 -92.39386 -86.32191 6.07196 2.42214 -87.19466 882.76660
FREEZING PROCESS: loop number 13 T-loop= 857.00000000000000
main_MD> interactions number 13 at Temperature= 857.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.08454 -1.90395 2.95918
force_rgl> df(natom) -0.38567 1.77004 -0.31196
3005.0000 -91.85688 -87.80423 4.05265 2.43700 -87.02375 917.89685
3010.0000 -91.30214 -87.35804 3.94410 2.36656 -87.83377 888.62024
3015.0000 -91.53039 -87.25662 4.27377 2.32934 -88.26187 835.53337
3020.0000 -91.47714 -87.29069 4.18644 2.39161 -87.54578 873.07214
3025.0000 -91.95432 -87.97796 3.97636 2.39795 -87.47287 848.73200
3030.0000 -93.31881 -88.64821 4.67060 2.32168 -88.34997 868.55794
3035.0000 -92.04187 -88.87763 3.16424 2.29822 -88.61972 793.96244
3040.0000 -92.65552 -87.32237 5.33315 2.29719 -88.63155 758.01851
3045.0000 -91.55961 -87.74808 3.81152 2.34807 -88.04642 825.51887
3050.0000 -91.84978 -88.12696 3.72282 2.35081 -88.01494 828.41099
3055.0000 -92.20108 -87.86986 4.33122 2.35451 -87.97238 874.23911
3060.0000 -92.70734 -88.17123 4.53612 2.39252 -87.53526 868.63316
3065.0000 -91.67355 -87.10852 4.56504 2.40767 -87.36100 867.13298
3070.0000 -92.96926 -88.34041 4.62885 2.35586 -87.95689 862.04253
3075.0000 -93.12075 -87.60872 5.51203 2.34592 -88.07116 871.61235
3080.0000 -91.43104 -87.11953 4.31151 2.37960 -87.68385 848.55350
3085.0000 -91.34875 -86.54665 4.80210 2.44101 -86.97761 882.32974
3090.0000 -92.73735 -87.82064 4.91671 2.38453 -87.62713 886.32851
3095.0000 -92.44234 -86.85022 5.59212 2.40381 -87.40547 887.36064
3100.0000 -91.93898 -87.71994 4.21904 2.39874 -87.46371 891.04512
3105.0000 -90.91802 -85.98845 4.92957 2.43370 -87.06171 923.84997
3110.0000 -91.85205 -87.17092 4.68113 2.41901 -87.23059 898.73206
3115.0000 -93.02944 -88.70658 4.32286 2.42263 -87.18903 909.25495
3120.0000 -92.09092 -87.03156 5.05937 2.37908 -87.68981 883.67206
3125.0000 -91.02668 -86.52017 4.50651 2.46417 -86.71125 917.31516
3130.0000 -93.55519 -89.26641 4.28877 2.34135 -88.12370 874.95508
3135.0000 -92.17571 -88.18746 3.98825 2.28455 -88.77692 827.69942
3140.0000 -93.07325 -88.18120 4.89205 2.39831 -87.46867 869.85737
3145.0000 -92.51741 -88.05286 4.46455 2.33759 -88.16693 845.41895
3150.0000 -91.67042 -88.26843 3.40199 2.28213 -88.80481 773.63460
3155.0000 -92.66723 -88.57565 4.09158 2.35874 -87.92373 849.94608
3160.0000 -91.64562 -87.27439 4.37123 2.39203 -87.54088 890.42391
3165.0000 -92.62243 -88.30496 4.31747 2.35679 -87.94616 843.17528
3170.0000 -93.07461 -88.67558 4.39903 2.27673 -88.86684 743.32456
3175.0000 -91.90610 -87.79181 4.11429 2.30009 -88.59827 829.49835
3180.0000 -92.90330 -89.50837 3.39493 2.23270 -89.37323 733.40951
3185.0000 -93.46134 -89.30226 4.15907 2.22822 -89.42476 743.71166
3190.0000 -92.19857 -87.94946 4.24910 2.29806 -88.62159 845.18188
3195.0000 -92.71209 -87.93268 4.77941 2.37337 -87.75544 868.21023
3200.0000 -92.22680 -88.26857 3.95823 2.32851 -88.27135 837.01928
3205.0000 -92.85164 -88.44186 4.40979 2.30380 -88.55562 792.47954
3210.0000 -92.31491 -87.79791 4.51700 2.35405 -87.97770 834.23397
3215.0000 -91.63796 -87.35764 4.28032 2.37757 -87.70716 864.62060
3220.0000 -93.17510 -89.12301 4.05209 2.32006 -88.36860 829.57151
3225.0000 -92.43821 -88.26804 4.17018 2.30853 -88.50112 833.62117
3230.0000 -92.04484 -88.00504 4.03980 2.35788 -87.93368 848.84278
3235.0000 -92.70464 -88.07615 4.62850 2.33995 -88.13983 812.42923
3240.0000 -93.11600 -89.16220 3.95381 2.27752 -88.85782 824.61678
3245.0000 -91.69206 -86.88230 4.80976 2.37119 -87.78056 862.84077
3250.0000 -91.56498 -87.31351 4.25146 2.39086 -87.55438 877.97454
FREEZING PROCESS: loop number 14 T-loop= 832.00000000000000
main_MD> interactions number 14 at Temperature= 832.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.90554 1.06011 3.39641
force_rgl> df(natom) -2.07003 0.40434 0.23482
3255.0000 -89.99007 -86.40170 3.58837 2.42459 -87.16645 901.90862
3260.0000 -93.12171 -89.74104 3.38067 2.35994 -87.90999 786.49637
3265.0000 -92.97003 -89.39183 3.57819 2.25716 -89.09201 769.15894
3270.0000 -93.49584 -89.13825 4.35759 2.24429 -89.23997 766.08691
3275.0000 -93.47235 -88.33745 5.13490 2.30405 -88.55264 800.33502
3280.0000 -93.81271 -89.25282 4.55989 2.27767 -88.85608 813.87724
3285.0000 -93.78574 -89.84747 3.93828 2.24898 -89.18601 770.30575
3290.0000 -93.88712 -90.41200 3.47512 2.17734 -90.00991 710.74507
3295.0000 -92.95696 -88.61222 4.34474 2.21766 -89.54621 762.18897
3300.0000 -91.98603 -88.63904 3.34699 2.22874 -89.41881 755.28955
3305.0000 -93.08988 -88.75027 4.33962 2.28098 -88.81802 793.98585
3310.0000 -93.05230 -88.27140 4.78091 2.34148 -88.12224 795.47003
3315.0000 -92.42435 -88.40602 4.01833 2.28994 -88.71502 812.64671
3320.0000 -91.43529 -87.44375 3.99153 2.32622 -88.29769 821.70737
3325.0000 -91.19971 -86.93830 4.26141 2.41061 -87.32724 877.82078
3330.0000 -92.74191 -87.95255 4.78936 2.41560 -87.26979 892.82426
3335.0000 -91.49480 -87.75377 3.74103 2.36115 -87.89608 822.82169
3340.0000 -92.83762 -88.47096 4.36665 2.35017 -88.02234 812.87790
3345.0000 -92.79282 -89.15493 3.63789 2.28583 -88.76224 778.27104
3350.0000 -93.67280 -89.75457 3.91823 2.20180 -89.72864 751.45412
3355.0000 -92.38688 -88.18169 4.20519 2.27186 -88.92292 813.77510
3360.0000 -92.47087 -88.62778 3.84309 2.33173 -88.23436 800.02917
3365.0000 -91.42100 -87.54133 3.87967 2.34998 -88.02446 808.92773
3370.0000 -92.24772 -88.51241 3.73531 2.36728 -87.82559 864.80809
3375.0000 -92.43172 -88.34659 4.08513 2.25141 -89.15809 746.84911
3380.0000 -91.74941 -87.22626 4.52315 2.37571 -87.72856 889.09620
3385.0000 -93.05307 -88.04161 5.01146 2.33804 -88.16186 854.65367
3390.0000 -91.62870 -87.61174 4.01696 2.30820 -88.50502 829.01434
3395.0000 -92.11082 -87.62738 4.48345 2.44078 -86.98027 912.11850
3400.0000 -93.42530 -88.82044 4.60486 2.35415 -87.97652 852.41470
3405.0000 -92.66597 -88.08639 4.57957 2.30466 -88.54567 809.14566
3410.0000 -92.04360 -87.92703 4.11657 2.31029 -88.48092 828.53354
3415.0000 -93.26824 -89.79120 3.47704 2.25095 -89.16339 750.06424
3420.0000 -92.64437 -88.52114 4.12323 2.24421 -89.24091 752.35818
3425.0000 -93.05370 -89.09105 3.96266 2.27180 -88.92359 759.43811
3430.0000 -93.20932 -89.46755 3.74178 2.23290 -89.37095 753.05461
3435.0000 -92.06469 -88.20805 3.85664 2.26624 -88.98751 803.80926
3440.0000 -92.93897 -87.89983 5.03914 2.36470 -87.85515 862.54156
3445.0000 -92.18335 -87.43078 4.75256 2.40802 -87.35704 890.40588
3450.0000 -92.48634 -88.44251 4.04382 2.35394 -87.97900 827.10774
3455.0000 -91.20840 -87.14561 4.06279 2.39287 -87.53119 925.74789
3460.0000 -91.25439 -86.83474 4.41965 2.44758 -86.90209 894.52549
3465.0000 -92.01539 -88.41244 3.60295 2.39598 -87.49549 902.79146
3470.0000 -91.11040 -87.44777 3.66262 2.37309 -87.75870 807.03751
3475.0000 -91.87477 -87.46571 4.40907 2.37281 -87.76199 870.96979
3480.0000 -92.31516 -87.36466 4.95050 2.43089 -87.09404 930.52693
3485.0000 -91.31538 -86.25040 5.06498 2.43657 -87.02866 932.07175
3490.0000 -92.13948 -87.81833 4.32115 2.40217 -87.42429 875.94459
3495.0000 -92.50341 -87.93342 4.56999 2.34216 -88.11438 836.84337
3500.0000 -91.79750 -87.78378 4.01372 2.38194 -87.65699 862.93339
FREEZING PROCESS: loop number 15 T-loop= 807.00000000000000
main_MD> interactions number 15 at Temperature= 807.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.58535 1.41695 0.45529
force_rgl> df(natom) 0.99694 3.12129 0.03738
3505.0000 -92.42117 -87.40667 5.01449 2.35866 -87.92469 859.04924
3510.0000 -92.73588 -88.70845 4.02743 2.38729 -87.59540 891.00192
3515.0000 -93.09903 -90.02810 3.07092 2.26410 -89.01218 752.14467
3520.0000 -92.61349 -88.30693 4.30657 2.28396 -88.78375 746.90616
3525.0000 -92.63608 -88.81864 3.81744 2.34429 -88.08993 830.67716
3530.0000 -92.61062 -87.84147 4.76915 2.35066 -88.01671 832.62893
3535.0000 -92.31483 -87.58184 4.73299 2.37817 -87.70030 879.44463
3540.0000 -91.97829 -86.85900 5.11928 2.42081 -87.20994 913.40896
3545.0000 -92.87619 -89.09442 3.78177 2.31836 -88.38809 779.95705
3550.0000 -92.99719 -89.00601 3.99118 2.23418 -89.35625 757.82561
3555.0000 -92.93976 -88.48690 4.45286 2.27691 -88.86480 780.47726
3560.0000 -92.67044 -89.00366 3.66678 2.27447 -88.89283 766.31059
3565.0000 -92.17153 -88.39795 3.77359 2.31158 -88.46612 801.69529
3570.0000 -92.60019 -87.75518 4.84502 2.33009 -88.25321 806.75638
3575.0000 -93.51423 -89.26962 4.24461 2.31370 -88.44174 811.68625
3580.0000 -91.97625 -86.32622 5.65003 2.33065 -88.24685 788.76057
3585.0000 -89.95512 -84.98089 4.97422 2.52664 -85.99286 1034.50192
3590.0000 -90.81114 -86.56974 4.24140 2.52536 -86.00755 930.77069
3595.0000 -92.89900 -88.58188 4.31712 2.37520 -87.73444 806.78000
3600.0000 -93.71666 -90.27939 3.43728 2.23466 -89.35066 750.45254
3605.0000 -93.82660 -89.02063 4.80597 2.17859 -89.99556 733.30324
3610.0000 -92.05460 -88.56844 3.48617 2.33810 -88.16116 830.46239
3615.0000 -91.92290 -88.07901 3.84388 2.32965 -88.25834 833.48470
3620.0000 -91.71602 -86.95467 4.76135 2.39576 -87.49802 854.31894
3625.0000 -91.74125 -87.14962 4.59163 2.45387 -86.82973 919.57696
3630.0000 -92.79413 -89.09423 3.69990 2.32539 -88.30724 843.68493
3635.0000 -91.87703 -88.44350 3.43352 2.24493 -89.23260 734.20715
3640.0000 -93.50290 -89.53106 3.97184 2.29969 -88.60280 810.43961
3645.0000 -92.64373 -88.96962 3.67410 2.24600 -89.22030 760.50407
3650.0000 -90.83860 -87.31075 3.52785 2.31335 -88.44571 811.24173
3655.0000 -90.60430 -87.35654 3.24776 2.40001 -87.44917 918.94107
3660.0000 -91.26460 -86.55270 4.71190 2.40880 -87.34800 869.39155
3665.0000 -92.16054 -87.71805 4.44249 2.41481 -87.27889 882.36644
3670.0000 -92.72211 -88.73162 3.99049 2.35343 -87.98481 817.19298
3675.0000 -93.63625 -90.08820 3.54805 2.25303 -89.13940 772.80912
3680.0000 -93.28286 -89.98791 3.29495 2.20294 -89.71551 757.46006
3685.0000 -93.03968 -88.30861 4.73107 2.27601 -88.87520 787.69426
3690.0000 -93.66635 -89.94372 3.72263 2.23814 -89.31066 770.70054
3695.0000 -92.98937 -89.58089 3.40848 2.19944 -89.75573 728.15802
3700.0000 -92.31182 -88.34331 3.96851 2.20655 -89.67401 733.45061
3705.0000 -92.83790 -87.98952 4.84838 2.33848 -88.15671 844.78471
3710.0000 -92.78816 -88.98743 3.80073 2.27958 -88.83415 792.11402
3715.0000 -93.10856 -88.75546 4.35310 2.28560 -88.76489 785.33859
3720.0000 -92.30182 -89.05696 3.24486 2.25606 -89.10463 751.42230
3725.0000 -91.67971 -88.07991 3.59980 2.28672 -88.75205 849.61921
3730.0000 -91.29348 -86.94020 4.35328 2.39958 -87.45408 896.50099
3735.0000 -92.10535 -87.88608 4.21928 2.35495 -87.96731 861.85926
3740.0000 -91.62419 -88.05555 3.56864 2.36548 -87.84619 894.86119
3745.0000 -93.83153 -89.58540 4.24613 2.28740 -88.74420 831.26240
3750.0000 -93.08254 -87.67863 5.40391 2.29547 -88.65143 792.67939
FREEZING PROCESS: loop number 16 T-loop= 782.00000000000000
main_MD> interactions number 16 at Temperature= 782.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.18666 1.40385 0.24441
force_rgl> df(natom) -0.82390 0.03589 0.44458
3755.0000 -92.50994 -88.13262 4.37732 2.36744 -87.82372 867.96826
3760.0000 -91.73254 -88.52437 3.20817 2.33002 -88.25407 837.78524
3765.0000 -93.03135 -89.09887 3.93248 2.28293 -88.79556 771.05685
3770.0000 -93.04683 -90.03853 3.00830 2.21791 -89.54329 709.10393
3775.0000 -93.73018 -89.20502 4.52516 2.25286 -89.14144 770.60869
3780.0000 -92.97845 -88.47033 4.50812 2.23060 -89.39740 762.27684
3785.0000 -91.68896 -87.70496 3.98400 2.31606 -88.41453 810.49880
3790.0000 -91.99814 -88.34296 3.65518 2.32842 -88.27239 835.89850
3795.0000 -92.02444 -88.17073 3.85371 2.27259 -88.91451 790.16139
3800.0000 -92.14856 -89.04444 3.10412 2.31340 -88.44517 815.99564
3805.0000 -92.63520 -88.41114 4.22406 2.29186 -88.69286 772.51951
3810.0000 -91.40332 -86.88790 4.51542 2.40464 -87.39588 849.44511
3815.0000 -92.22883 -87.61606 4.61277 2.33779 -88.16468 766.44012
3820.0000 -91.97619 -88.04216 3.93403 2.38396 -87.63375 844.39823
3825.0000 -92.42386 -88.99287 3.43098 2.30888 -88.49715 780.19937
3830.0000 -93.48664 -89.53449 3.95215 2.19454 -89.81205 698.76675
3835.0000 -93.38359 -89.08238 4.30120 2.20692 -89.66974 743.58520
3840.0000 -92.32049 -88.71319 3.60730 2.24297 -89.25516 766.12671
3845.0000 -91.59295 -87.11109 4.48186 2.35765 -87.93624 860.57240
3850.0000 -92.49444 -88.15328 4.34116 2.35761 -87.93670 840.03511
3855.0000 -92.54655 -89.03025 3.51631 2.32347 -88.32931 891.79858
3860.0000 -92.22779 -88.07067 4.15712 2.28488 -88.77319 785.55919
3865.0000 -92.23667 -88.48665 3.75002 2.39775 -87.47515 905.12835
3870.0000 -92.56068 -88.40588 4.15480 2.29530 -88.65335 800.37456
3875.0000 -92.76387 -89.66183 3.10204 2.23968 -89.29299 748.07136
3880.0000 -94.15187 -90.10547 4.04641 2.21893 -89.53164 733.21491
3885.0000 -93.34790 -88.32096 5.02694 2.25650 -89.09952 779.81523
3890.0000 -92.54155 -88.33574 4.20580 2.26833 -88.96346 791.21493
3895.0000 -92.75574 -88.94212 3.81362 2.28726 -88.74582 765.07124
3900.0000 -92.66465 -88.97114 3.69350 2.27456 -88.89186 765.92045
3905.0000 -93.76544 -89.38543 4.38001 2.19526 -89.80377 710.22247
3910.0000 -92.66075 -88.33471 4.32603 2.27085 -88.93455 785.76344
3915.0000 -92.33360 -88.90471 3.42889 2.29088 -88.70412 772.17287
3920.0000 -92.67773 -88.26026 4.41748 2.30528 -88.53856 762.46640
3925.0000 -92.95444 -88.24331 4.71113 2.32757 -88.28224 780.30447
3930.0000 -91.36371 -87.38189 3.98182 2.37291 -87.76084 825.44071
3935.0000 -92.82413 -87.86909 4.95504 2.38442 -87.62841 840.58253
3940.0000 -94.48644 -90.46081 4.02563 2.23580 -89.33764 777.50402
3945.0000 -93.22001 -89.49179 3.72822 2.18406 -89.93265 715.40784
3950.0000 -93.30922 -89.80919 3.50003 2.21825 -89.53938 718.61601
3955.0000 -92.87437 -89.17687 3.69750 2.21861 -89.53525 743.84987
3960.0000 -91.89634 -87.17531 4.72103 2.34779 -88.04967 832.38829
3965.0000 -92.40812 -87.49179 4.91633 2.43421 -87.05577 917.19344
3970.0000 -92.99333 -89.49289 3.50043 2.34729 -88.05541 862.73406
3975.0000 -93.33789 -88.87925 4.45864 2.22516 -89.46001 736.40261
3980.0000 -93.65559 -89.61702 4.03858 2.16392 -90.16418 702.90209
3985.0000 -92.32799 -88.54439 3.78360 2.31250 -88.45551 825.82501
3990.0000 -93.18150 -89.45606 3.72544 2.26365 -89.01733 793.47654
3995.0000 -93.12476 -89.59043 3.53433 2.18296 -89.94522 705.83611
4000.0000 -93.92140 -89.39207 4.52933 2.21174 -89.61426 716.32319
FREEZING PROCESS: loop number 17 T-loop= 757.00000000000000
main_MD> interactions number 17 at Temperature= 757.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.80768 0.55787 3.56403
force_rgl> df(natom) -0.93129 0.07206 1.10509
4005.0000 -93.82862 -89.66191 4.16671 2.23601 -89.33513 788.29169
4010.0000 -93.21805 -88.05105 5.16700 2.23116 -89.39093 747.12361
4015.0000 -92.41908 -88.57962 3.83946 2.33077 -88.24544 813.76810
4020.0000 -92.55116 -88.81225 3.73892 2.29639 -88.64074 755.86309
4025.0000 -91.92478 -88.73325 3.19153 2.27433 -88.89450 769.85576
4030.0000 -93.45865 -89.23324 4.22541 2.24818 -89.19517 757.02194
4035.0000 -94.16435 -90.43972 3.72463 2.21492 -89.57776 764.26749
4040.0000 -93.34294 -89.90778 3.43516 2.18353 -89.93872 740.83178
4045.0000 -93.49648 -89.33328 4.16319 2.23534 -89.34293 757.02025
4050.0000 -92.59964 -88.37520 4.22445 2.26011 -89.05804 779.64587
4055.0000 -93.13414 -88.13982 4.99432 2.33680 -88.17611 880.68588
4060.0000 -93.73809 -89.02980 4.70829 2.24640 -89.21574 745.29987
4065.0000 -93.45869 -90.16051 3.29819 2.23423 -89.35562 770.43415
4070.0000 -93.58700 -90.43253 3.15447 2.15150 -90.30707 678.53099
4075.0000 -93.21910 -89.15705 4.06205 2.19009 -89.86327 729.47490
4080.0000 -92.50608 -88.22228 4.28380 2.26656 -88.98389 782.89061
4085.0000 -93.67082 -89.82798 3.84283 2.25298 -89.14000 747.35024
4090.0000 -93.72284 -90.46055 3.26229 2.15609 -90.25428 681.40749
4095.0000 -94.66613 -91.39135 3.27478 2.11283 -90.75184 663.35275
4100.0000 -94.26017 -90.66209 3.59808 2.10213 -90.87480 671.72266
4105.0000 -94.43862 -90.15178 4.28684 2.14030 -90.43584 670.29024
4110.0000 -93.62561 -90.05942 3.56620 2.17488 -90.03825 722.84567
4115.0000 -93.35162 -89.48495 3.86667 2.18947 -89.87042 708.56506
4120.0000 -94.44963 -90.69437 3.75526 2.17394 -90.04899 711.71872
4125.0000 -93.53773 -89.98312 3.55461 2.18873 -89.87896 696.76792
4130.0000 -93.28144 -89.87998 3.40146 2.23149 -89.38711 751.41860
4135.0000 -93.46862 -90.44592 3.02270 2.15776 -90.23512 688.52812
4140.0000 -93.41909 -89.79975 3.61935 2.18345 -89.93967 713.37671
4145.0000 -92.86973 -88.74377 4.12597 2.22616 -89.44845 773.90469
4150.0000 -92.77526 -88.67197 4.10330 2.33790 -88.16340 801.55760
4155.0000 -93.02456 -89.18784 3.83671 2.25724 -89.09103 765.20782
4160.0000 -93.74225 -89.40103 4.34122 2.20119 -89.73558 716.33822
4165.0000 -93.23393 -89.46910 3.76483 2.20990 -89.63540 736.79465
4170.0000 -92.45080 -89.32997 3.12083 2.25885 -89.07254 769.24557
4175.0000 -92.72202 -88.90498 3.81704 2.27505 -88.88626 775.96206
4180.0000 -92.69708 -88.70821 3.98887 2.29371 -88.67160 808.84377
4185.0000 -93.55981 -89.81879 3.74103 2.24142 -89.27293 772.00527
4190.0000 -93.10085 -90.04453 3.05631 2.18714 -89.89720 728.76476
4195.0000 -93.30928 -89.53776 3.77152 2.19478 -89.80931 737.31806
4200.0000 -94.09876 -91.10055 2.99821 2.18652 -89.90436 692.94228
4205.0000 -93.91659 -89.94620 3.97039 2.13760 -90.46690 671.87388
4210.0000 -93.98811 -90.53239 3.45572 2.15908 -90.21991 706.53057
4215.0000 -94.68275 -90.63639 4.04636 2.12506 -90.61114 647.04048
4220.0000 -93.15360 -89.24718 3.90642 2.15075 -90.31572 671.83377
4225.0000 -92.64043 -89.35496 3.28546 2.20845 -89.65214 736.02639
4230.0000 -92.48653 -89.22717 3.25937 2.24796 -89.19773 773.65823
4235.0000 -93.94392 -89.87318 4.07073 2.20687 -89.67026 717.41744
4240.0000 -92.68425 -89.57155 3.11270 2.18084 -89.96966 690.18400
4245.0000 -93.23097 -88.88126 4.34971 2.24983 -89.17626 783.67893
4250.0000 -93.70358 -89.80788 3.89570 2.21648 -89.55980 722.32844
FREEZING PROCESS: loop number 18 T-loop= 732.00000000000000
main_MD> interactions number 18 at Temperature= 732.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.74710 0.70693 1.00670
force_rgl> df(natom) 0.53752 0.44356 -0.92389
4255.0000 -94.35800 -90.99662 3.36138 2.10118 -90.88574 637.63045
4260.0000 -94.35811 -90.78431 3.57380 2.10374 -90.85635 631.48811
4265.0000 -93.98979 -90.66319 3.32660 2.09105 -91.00230 634.80791
4270.0000 -93.23390 -90.36933 2.86457 2.13127 -90.53974 663.52310
4275.0000 -93.43712 -88.98785 4.44927 2.13547 -90.49144 660.79082
4280.0000 -94.74107 -91.17571 3.56536 2.13602 -90.48505 703.10869
4285.0000 -93.28419 -90.03184 3.25235 2.10812 -90.80593 632.26036
4290.0000 -93.21208 -89.71659 3.49549 2.19662 -89.78821 718.79271
4295.0000 -92.67554 -88.56894 4.10660 2.24680 -89.21105 732.55924
4300.0000 -92.42740 -88.34287 4.08453 2.30349 -88.55911 779.63455
4305.0000 -91.17965 -87.96828 3.21137 2.31268 -88.45341 813.40131
4310.0000 -93.04277 -87.99344 5.04934 2.33916 -88.14889 817.25435
4315.0000 -92.17568 -88.55311 3.62257 2.33673 -88.17688 789.38974
4320.0000 -92.73782 -88.24093 4.49689 2.27901 -88.84061 749.14042
4325.0000 -92.14113 -88.56550 3.57563 2.36542 -87.84697 884.28424
4330.0000 -92.21451 -88.54005 3.67446 2.29717 -88.63186 770.47316
4335.0000 -92.33661 -88.78172 3.55489 2.30284 -88.56661 774.51973
4340.0000 -91.90973 -88.65246 3.25728 2.31423 -88.43559 778.96392
4345.0000 -93.72388 -89.72709 3.99679 2.17740 -90.00918 729.67606
4350.0000 -94.18026 -90.56962 3.61065 2.19991 -89.75034 748.34460
4355.0000 -93.85996 -90.42215 3.43781 2.12405 -90.62281 653.55559
4360.0000 -93.74728 -90.39568 3.35160 2.12881 -90.56807 653.42887
4365.0000 -93.35921 -89.36888 3.99033 2.15685 -90.24549 673.59421
4370.0000 -92.76480 -89.33596 3.42884 2.24280 -89.25708 765.38793
4375.0000 -92.79541 -89.06299 3.73242 2.23245 -89.37615 713.44248
4380.0000 -91.78409 -88.22160 3.56249 2.28405 -88.78275 774.22475
4385.0000 -92.82947 -88.30298 4.52650 2.33953 -88.14469 847.38012
4390.0000 -92.22629 -87.74731 4.47899 2.33107 -88.24199 815.90064
4395.0000 -94.41307 -90.20258 4.21049 2.26386 -89.01488 759.31341
4400.0000 -92.57576 -89.33319 3.24257 2.16753 -90.12271 681.93534
4405.0000 -92.39316 -89.34925 3.04391 2.21730 -89.55035 697.87646
4410.0000 -93.37052 -88.93570 4.43481 2.23469 -89.35031 746.77775
4415.0000 -94.13958 -90.11862 4.02096 2.22710 -89.43764 755.91434
4420.0000 -93.38656 -90.30974 3.07682 2.14456 -90.38688 694.43584
4425.0000 -92.43221 -89.58584 2.84637 2.20359 -89.70802 716.37229
4430.0000 -93.66193 -90.59888 3.06305 2.16226 -90.18332 679.14211
4435.0000 -92.24685 -87.86321 4.38364 2.28809 -88.73622 734.17693
4440.0000 -92.53511 -88.83943 3.69568 2.30049 -88.59363 786.21813
4445.0000 -92.44349 -89.36406 3.07943 2.23162 -89.38569 733.94735
4450.0000 -93.37167 -89.95716 3.41451 2.25738 -89.08937 795.96233
4455.0000 -93.61787 -90.62601 2.99186 2.14410 -90.39215 666.56013
4460.0000 -94.34327 -90.79503 3.54824 2.17955 -89.98450 713.23759
4465.0000 -93.87767 -90.28802 3.58965 2.09670 -90.93734 648.87991
4470.0000 -93.53554 -90.85528 2.68026 2.19428 -89.81514 699.37882
4475.0000 -93.36537 -89.35891 4.00646 2.20620 -89.67802 723.10355
4480.0000 -92.85047 -89.63525 3.21523 2.18677 -89.90149 727.92941
4485.0000 -93.21111 -89.29077 3.92034 2.18100 -89.96785 687.61213
4490.0000 -92.15703 -87.74507 4.41196 2.31296 -88.45025 832.62070
4495.0000 -91.15546 -87.02118 4.13428 2.35526 -87.96377 830.95095
4500.0000 -92.82014 -89.12646 3.69369 2.34399 -88.09333 838.33737
FREEZING PROCESS: loop number 19 T-loop= 707.00000000000000
main_MD> interactions number 19 at Temperature= 707.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10893 -0.98039 -1.01428
force_rgl> df(natom) -2.09811 -2.96073 0.63571
4505.0000 -92.17306 -89.22163 2.95144 2.24250 -89.26060 746.71321
4510.0000 -93.39226 -90.02653 3.36573 2.22259 -89.48953 741.65763
4515.0000 -93.36995 -89.51930 3.85065 2.15970 -90.21278 683.59303
4520.0000 -93.49411 -90.33249 3.16162 2.17990 -89.98042 698.84875
4525.0000 -94.02325 -90.73392 3.28933 2.18138 -89.96342 701.42351
4530.0000 -94.33670 -91.24908 3.08762 2.12407 -90.62248 644.72947
4535.0000 -93.02294 -89.56172 3.46122 2.11660 -90.70848 658.06581
4540.0000 -93.97761 -90.15305 3.82456 2.19397 -89.81863 726.11949
4545.0000 -92.98158 -89.73601 3.24558 2.19043 -89.85935 701.26195
4550.0000 -92.16563 -88.68178 3.48385 2.20899 -89.64596 722.22861
4555.0000 -93.40128 -89.90322 3.49806 2.20400 -89.70330 743.90454
4560.0000 -93.11836 -88.19104 4.92732 2.27876 -88.84350 841.84310
4565.0000 -92.12469 -88.38467 3.74001 2.32276 -88.33758 809.25499
4570.0000 -93.72153 -90.12887 3.59266 2.22225 -89.49342 732.29515
4575.0000 -93.61337 -89.86614 3.74723 2.16069 -90.20133 712.29317
4580.0000 -93.42468 -89.67090 3.75378 2.18291 -89.94580 724.22938
4585.0000 -93.56966 -89.58417 3.98549 2.26195 -89.03688 770.12618
4590.0000 -93.46679 -89.55591 3.91088 2.24118 -89.27569 766.19732
4595.0000 -93.58281 -90.51053 3.07228 2.16727 -90.12568 739.76831
4600.0000 -92.88752 -89.56153 3.32600 2.22318 -89.48275 728.16974
4605.0000 -93.65430 -90.20494 3.44935 2.20655 -89.67398 714.36819
4610.0000 -92.60511 -89.45800 3.14710 2.22706 -89.43806 703.87655
4615.0000 -93.06565 -88.79502 4.27063 2.24932 -89.18209 724.69259
4620.0000 -93.70821 -90.17141 3.53679 2.21681 -89.55595 742.32285
4625.0000 -93.03707 -89.33812 3.69896 2.15719 -90.24167 676.05922
4630.0000 -93.01905 -88.68875 4.33030 2.22449 -89.46771 720.61638
4635.0000 -93.36604 -88.89593 4.47011 2.28120 -88.81543 765.32530
4640.0000 -93.23253 -89.66956 3.56297 2.23024 -89.40159 734.35533
4645.0000 -93.61542 -89.68402 3.93140 2.22124 -89.50506 746.21454
4650.0000 -93.48153 -89.90196 3.57956 2.19489 -89.80808 722.64885
4655.0000 -94.26404 -91.22500 3.03904 2.16665 -90.13284 740.68207
4660.0000 -94.29078 -91.98221 2.30857 2.03470 -91.65032 609.93035
4665.0000 -94.73175 -90.14944 4.58231 2.10357 -90.85832 670.22415
4670.0000 -94.40209 -90.86173 3.54036 2.13048 -90.54875 685.79327
4675.0000 -94.04392 -90.62113 3.42280 2.09561 -90.94981 643.52336
4680.0000 -94.00973 -90.36323 3.64650 2.11877 -90.68353 625.18080
4685.0000 -93.84492 -90.23195 3.61297 2.10495 -90.84241 646.58069
4690.0000 -92.55093 -89.45899 3.09194 2.15902 -90.22061 682.37628
4695.0000 -93.03970 -89.79747 3.24223 2.22487 -89.46332 731.61060
4700.0000 -93.81724 -90.20793 3.60931 2.18798 -89.88752 688.74156
4705.0000 -94.28208 -90.57426 3.70782 2.16952 -90.09979 703.91940
4710.0000 -92.79813 -89.41014 3.38799 2.22475 -89.46468 760.20171
4715.0000 -94.21522 -90.88629 3.32893 2.19720 -89.78155 719.10074
4720.0000 -93.75854 -90.77602 2.98253 2.12562 -90.60470 665.42140
4725.0000 -94.39816 -90.72004 3.67813 2.17073 -90.08593 712.10501
4730.0000 -93.55923 -90.28525 3.27398 2.12235 -90.64226 648.35311
4735.0000 -94.29429 -91.22020 3.07409 2.12256 -90.63994 640.42626
4740.0000 -93.84837 -90.20912 3.63925 2.06049 -91.35373 612.39594
4745.0000 -93.14541 -90.16248 2.98293 2.15690 -90.24502 692.75685
4750.0000 -93.99501 -89.86728 4.12773 2.19843 -89.76742 700.17128
FREEZING PROCESS: loop number 20 T-loop= 682.00000000000000
main_MD> interactions number 20 at Temperature= 682.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.54774 -2.78911 1.56272
force_rgl> df(natom) 1.30639 -1.60151 0.65521
4755.0000 -93.07377 -89.04732 4.02646 2.21692 -89.55469 740.51842
4760.0000 -94.06123 -90.39980 3.66143 2.16783 -90.11924 724.66639
4765.0000 -93.91218 -90.19914 3.71304 2.14371 -90.39666 700.49168
4770.0000 -93.57819 -89.94714 3.63104 2.13766 -90.46623 682.59738
4775.0000 -93.71389 -89.26914 4.44475 2.20038 -89.74495 718.24125
4780.0000 -93.50926 -89.71281 3.79645 2.23810 -89.31116 758.61094
4785.0000 -94.26614 -91.23779 3.02835 2.13028 -90.55114 654.38740
4790.0000 -94.19878 -91.07395 3.12483 2.06182 -91.33846 597.55020
4795.0000 -93.70504 -90.98618 2.71885 2.11120 -90.77059 672.67303
4800.0000 -94.85565 -91.05066 3.80499 2.08255 -91.10001 619.72351
4805.0000 -94.46570 -90.64850 3.81720 2.08349 -91.08916 634.75613
4810.0000 -94.99081 -92.13373 2.85708 2.09080 -91.00518 648.26862
4815.0000 -94.94422 -91.94003 3.00418 2.02986 -91.70596 609.82200
4820.0000 -94.72242 -90.88569 3.83674 2.05980 -91.36166 622.02297
4825.0000 -94.14677 -90.31123 3.83554 2.14182 -90.41844 697.93883
4830.0000 -94.65780 -90.25964 4.39816 2.13658 -90.47861 694.25045
4835.0000 -94.35766 -90.29103 4.06663 2.17493 -90.03764 729.22077
4840.0000 -93.53381 -90.46562 3.06819 2.14415 -90.39155 695.14837
4845.0000 -93.09473 -89.77688 3.31785 2.14886 -90.33742 682.31952
4850.0000 -93.37384 -89.82505 3.54879 2.22025 -89.51645 767.20700
4855.0000 -93.37385 -89.40758 3.96627 2.23951 -89.29489 771.48501
4860.0000 -93.79966 -90.66125 3.13841 2.17012 -90.09289 697.53391
4865.0000 -94.68396 -91.16494 3.51902 2.08181 -91.10853 615.00637
4870.0000 -94.45457 -90.56507 3.88950 2.11799 -90.69247 693.62110
4875.0000 -94.42731 -90.56962 3.85769 2.14513 -90.38035 686.20358
4880.0000 -93.74062 -90.07533 3.66529 2.13620 -90.48300 682.37582
4885.0000 -94.28184 -90.75030 3.53154 2.14083 -90.42979 687.41193
4890.0000 -93.87178 -89.42100 4.45078 2.13657 -90.47875 654.15271
4895.0000 -94.26844 -90.24768 4.02076 2.17780 -90.00456 698.57687
4900.0000 -93.68590 -89.97904 3.70686 2.12565 -90.60435 673.33112
4905.0000 -94.13350 -89.98528 4.14822 2.21491 -89.57784 768.19094
4910.0000 -93.63596 -90.15361 3.48234 2.14169 -90.41986 668.33697
4915.0000 -93.76566 -90.29323 3.47242 2.18523 -89.91922 719.11037
4920.0000 -93.93730 -90.73931 3.19799 2.09586 -90.94697 653.07554
4925.0000 -94.56900 -90.79087 3.77813 2.12540 -90.60726 670.55434
4930.0000 -94.14945 -90.97646 3.17298 2.08702 -91.04858 655.80390
4935.0000 -93.72911 -90.53017 3.19894 2.12236 -90.64221 676.35022
4940.0000 -93.50808 -90.46562 3.04246 2.17188 -90.07265 704.51394
4945.0000 -93.25900 -90.61697 2.64203 2.10388 -90.85469 640.81795
4950.0000 -94.07235 -90.30959 3.76276 2.11052 -90.77840 652.21056
4955.0000 -93.65694 -90.48605 3.17088 2.18724 -89.89601 726.98522
4960.0000 -94.22371 -90.89658 3.32713 2.13333 -90.51606 659.45422
4965.0000 -93.72269 -90.96274 2.75995 2.10881 -90.79804 662.39341
4970.0000 -93.87035 -90.49575 3.37460 2.10076 -90.89056 615.30744
4975.0000 -93.80705 -90.19607 3.61098 2.14269 -90.40839 679.37267
4980.0000 -93.88514 -89.66698 4.21816 2.16490 -90.15302 742.95614
4985.0000 -93.72419 -90.08052 3.64367 2.16265 -90.17880 704.67706
4990.0000 -93.52857 -89.63058 3.89799 2.20179 -89.72872 718.77756
4995.0000 -93.60717 -89.76162 3.84556 2.13659 -90.47857 639.04410
5000.0000 -94.06791 -90.45522 3.61269 2.15494 -90.26755 698.44739
FREEZING PROCESS: loop number 21 T-loop= 657.00000000000000
main_MD> interactions number 21 at Temperature= 657.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.16846 -0.22422 -4.69961
force_rgl> df(natom) -0.15806 -2.33667 -1.35133
5005.0000 -93.97830 -90.85168 3.12662 2.11472 -90.73000 672.39734
5010.0000 -93.82045 -90.61240 3.20805 2.10319 -90.86269 633.73917
5015.0000 -93.97921 -90.91070 3.06852 2.11688 -90.70526 668.62614
5020.0000 -94.13905 -91.44252 2.69653 2.10869 -90.79943 660.42068
5025.0000 -94.34683 -91.07183 3.27500 2.06737 -91.27455 621.56751
5030.0000 -93.47073 -89.68411 3.78663 2.16665 -90.13289 682.36908
5035.0000 -94.06839 -90.44041 3.62799 2.17315 -90.05812 685.40106
5040.0000 -94.15512 -90.03349 4.12163 2.14517 -90.37987 701.63237
5045.0000 -93.53523 -89.36850 4.16673 2.20363 -89.70760 722.91892
5050.0000 -93.83247 -89.98829 3.84419 2.23213 -89.37975 725.36894
5055.0000 -93.74532 -90.48764 3.25767 2.18339 -89.94034 708.40313
5060.0000 -93.78328 -90.38849 3.39479 2.11049 -90.77873 659.01891
5065.0000 -94.08153 -91.39789 2.68365 2.12512 -90.61047 653.14368
5070.0000 -92.97825 -89.95608 3.02217 2.14182 -90.41841 624.52856
5075.0000 -92.94010 -89.43407 3.50604 2.21928 -89.52758 739.08210
5080.0000 -93.53419 -90.46973 3.06446 2.20973 -89.63739 711.30654
5085.0000 -93.13547 -89.96827 3.16719 2.16665 -90.13284 679.52858
5090.0000 -93.03969 -89.24198 3.79771 2.18424 -89.93054 728.32107
5095.0000 -94.60982 -90.16697 4.44285 2.18106 -89.96717 723.73282
5100.0000 -94.36633 -90.39018 3.97615 2.14881 -90.33799 708.21917
5105.0000 -94.58947 -91.44281 3.14667 2.10535 -90.83784 670.40759
5110.0000 -93.67996 -90.62473 3.05523 2.08834 -91.03344 628.93543
5115.0000 -93.29353 -89.94858 3.34495 2.15769 -90.23594 682.29648
5120.0000 -94.05475 -90.80663 3.24812 2.15955 -90.21454 670.95635
5125.0000 -94.68733 -91.59473 3.09260 2.08181 -91.10852 631.37105
5130.0000 -94.25359 -90.99411 3.25948 2.06955 -91.24955 625.33692
5135.0000 -94.51815 -91.68949 2.82866 2.06165 -91.34043 608.02864
5140.0000 -94.16683 -91.25578 2.91104 2.06033 -91.35554 655.67536
5145.0000 -93.44620 -90.01508 3.43113 2.16425 -90.16044 715.60484
5150.0000 -92.62585 -89.97681 2.64903 2.17067 -90.08657 743.71351
5155.0000 -92.56928 -88.59429 3.97499 2.28873 -88.72891 802.39699
5160.0000 -93.23110 -89.42252 3.80859 2.27605 -88.87475 764.27011
5165.0000 -92.24729 -89.64535 2.60194 2.20210 -89.72516 717.02187
5170.0000 -92.43479 -88.86347 3.57133 2.24435 -89.23924 732.05834
5175.0000 -93.27376 -89.77002 3.50374 2.23543 -89.34186 712.41826
5180.0000 -93.26961 -88.96229 4.30732 2.22319 -89.48267 736.56365
5185.0000 -93.27729 -89.70039 3.57690 2.23769 -89.31588 798.89454
5190.0000 -93.61330 -90.44754 3.16576 2.12647 -90.59492 645.34345
5195.0000 -93.49606 -90.16428 3.33179 2.16705 -90.12823 646.78329
5200.0000 -93.59662 -89.76691 3.82972 2.15890 -90.22200 675.93218
5205.0000 -94.25417 -90.80998 3.44419 2.13494 -90.49747 671.88401
5210.0000 -94.85994 -90.55627 4.30366 2.11482 -90.72886 650.25252
5215.0000 -93.88815 -91.05903 2.82912 2.10858 -90.80064 662.13438
5220.0000 -93.22670 -89.80281 3.42390 2.18276 -89.94756 724.00086
5225.0000 -93.95472 -91.11406 2.84067 2.13968 -90.44303 661.62686
5230.0000 -92.76383 -89.94933 2.81451 2.14652 -90.36436 658.17291
5235.0000 -94.07104 -90.72923 3.34181 2.18385 -89.93509 684.01834
5240.0000 -94.23255 -90.65183 3.58073 2.16238 -90.18198 694.23123
5245.0000 -93.78762 -89.80442 3.98321 2.17036 -90.09020 711.42118
5250.0000 -94.10811 -91.05712 3.05099 2.12128 -90.65464 666.97063
FREEZING PROCESS: loop number 22 T-loop= 632.00000000000000
main_MD> interactions number 22 at Temperature= 632.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.60099 -0.83456 -0.35391
force_rgl> df(natom) -1.17350 1.08008 -0.37664
5255.0000 -94.45471 -91.32105 3.13365 2.06449 -91.30776 609.51101
5260.0000 -94.30300 -90.94128 3.36172 2.08373 -91.08647 646.85930
5265.0000 -94.81958 -91.91293 2.90666 2.05854 -91.37615 599.07670
5270.0000 -94.70092 -91.95344 2.74747 2.03223 -91.67877 594.21292
5275.0000 -94.42547 -91.37775 3.04772 2.03318 -91.66776 601.31632
5280.0000 -93.62016 -90.96109 2.65907 2.06906 -91.25510 636.48009
5285.0000 -93.62995 -89.97896 3.65099 2.12777 -90.57999 652.29486
5290.0000 -93.87349 -89.96119 3.91230 2.20479 -89.69422 733.69452
5295.0000 -94.83075 -91.92049 2.91027 2.07542 -91.18202 637.81702
5300.0000 -94.16275 -91.17563 2.98712 2.00676 -91.97159 581.16909
5305.0000 -94.98445 -92.59236 2.39210 1.99893 -92.06167 548.00542
5310.0000 -95.52385 -92.17586 3.34799 1.97911 -92.28960 539.47251
5315.0000 -94.28889 -91.50888 2.78000 2.03608 -91.63444 595.67937
5320.0000 -94.29625 -91.16840 3.12784 2.05314 -91.43819 621.10989
5325.0000 -94.10593 -90.60437 3.50156 2.10982 -90.78644 630.11130
5330.0000 -94.42674 -91.09211 3.33463 2.13484 -90.49863 693.99052
5335.0000 -94.25341 -91.36870 2.88471 2.06354 -91.31860 635.73285
5340.0000 -94.49808 -91.60732 2.89076 2.08478 -91.07439 656.10479
5345.0000 -93.59888 -91.37264 2.22624 2.06570 -91.29377 610.79437
5350.0000 -94.44411 -91.10941 3.33471 2.08444 -91.07825 636.08459
5355.0000 -94.48965 -91.56419 2.92546 2.09706 -90.93310 633.95766
5360.0000 -94.30713 -91.48579 2.82134 2.05384 -91.43021 615.33019
5365.0000 -94.71327 -91.22213 3.49115 2.02326 -91.78191 554.72784
5370.0000 -93.60182 -91.02599 2.57583 2.06309 -91.32385 589.26297
5375.0000 -93.59992 -90.24061 3.35931 2.13863 -90.45511 637.81490
5380.0000 -93.99225 -90.25186 3.74039 2.16066 -90.20169 671.45543
5385.0000 -94.46301 -91.61756 2.84544 2.09603 -90.94497 667.84800
5390.0000 -94.30485 -90.62488 3.67997 2.06351 -91.31903 599.71609
5395.0000 -94.71838 -91.92424 2.79414 2.06124 -91.34506 612.97322
5400.0000 -95.15789 -92.93950 2.21839 1.97890 -92.29205 539.23939
5405.0000 -95.07922 -92.18720 2.89202 1.96652 -92.43445 530.48848
5410.0000 -94.62149 -90.88040 3.74109 2.03236 -91.67722 588.07598
5415.0000 -94.13578 -91.52439 2.61139 2.03959 -91.59408 608.21588
5420.0000 -93.53102 -89.74951 3.78151 2.10131 -90.88428 645.96033
5425.0000 -93.78298 -90.41858 3.36441 2.16091 -90.19883 689.92481
5430.0000 -94.11401 -90.15185 3.96215 2.14724 -90.35609 693.67744
5435.0000 -94.56368 -90.38005 4.18363 2.12893 -90.56658 649.99252
5440.0000 -93.19916 -89.91777 3.28139 2.16509 -90.15079 681.50636
5445.0000 -94.02386 -90.73503 3.28882 2.18659 -89.90353 708.05174
5450.0000 -93.78887 -90.25283 3.53604 2.15231 -90.29772 689.98937
5455.0000 -93.54481 -89.94642 3.59839 2.18001 -89.97925 738.98514
5460.0000 -93.95711 -90.65448 3.30263 2.17203 -90.07098 718.37399
5465.0000 -94.62086 -91.49941 3.12144 2.09473 -90.95994 615.30898
5470.0000 -93.28433 -90.17165 3.11268 2.09174 -90.99437 624.58581
5475.0000 -94.76892 -91.77085 2.99807 2.06470 -91.30529 611.47624
5480.0000 -94.14830 -91.69386 2.45445 2.02200 -91.79640 601.48460
5485.0000 -94.74981 -91.14942 3.60040 2.04697 -91.50917 610.38950
5490.0000 -94.10703 -91.11378 2.99325 2.10072 -90.89105 632.41350
5495.0000 -94.21228 -90.88120 3.33108 2.07928 -91.13758 620.72807
5500.0000 -94.90430 -91.74348 3.16082 2.05432 -91.42462 598.46648
FREEZING PROCESS: loop number 23 T-loop= 607.00000000000000
main_MD> interactions number 23 at Temperature= 607.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.13558 1.50108 1.46790
force_rgl> df(natom) 2.96512 10.49808 -5.18168
5505.0000 -94.13296 -91.25603 2.87692 2.04687 -91.51031 603.72036
5510.0000 -94.74996 -91.13670 3.61326 2.07389 -91.19965 641.06646
5515.0000 -93.95900 -90.90609 3.05291 2.05782 -91.38438 634.56843
5520.0000 -94.61016 -92.25306 2.35710 2.07009 -91.24335 636.81621
5525.0000 -95.80184 -92.51067 3.29117 2.00124 -92.03513 581.18411
5530.0000 -94.66195 -92.06891 2.59304 1.99811 -92.07113 608.54734
5535.0000 -95.44344 -92.06262 3.38083 1.97930 -92.28748 553.55587
5540.0000 -94.60123 -91.62618 2.97506 2.00284 -92.01676 561.51114
5545.0000 -94.29900 -90.88685 3.41216 2.08370 -91.08678 638.87397
5550.0000 -94.23405 -90.63396 3.60009 2.13605 -90.48478 670.55748
5555.0000 -94.94851 -92.02854 2.91997 2.06786 -91.26900 648.78404
5560.0000 -95.39865 -92.34811 3.05054 1.98149 -92.26226 549.55447
5565.0000 -94.39575 -91.05858 3.33717 2.01486 -91.87849 561.03839
5570.0000 -95.04313 -91.86677 3.17636 2.04645 -91.51521 576.80924
5575.0000 -93.44733 -89.54815 3.89918 2.09315 -90.97815 640.38113
5580.0000 -94.03749 -90.50271 3.53478 2.15641 -90.25060 675.14141
5585.0000 -94.29697 -91.51653 2.78044 2.11404 -90.73792 657.00088
5590.0000 -93.84062 -91.05507 2.78555 2.05634 -91.40143 599.97120
5595.0000 -95.50686 -92.58386 2.92300 2.02654 -91.74414 600.26301
5600.0000 -94.82353 -91.54543 3.27810 2.00819 -91.95520 570.80715
5605.0000 -94.68933 -90.72500 3.96434 2.09303 -90.97951 666.75598
5610.0000 -94.24020 -91.02802 3.21218 2.11317 -90.74786 674.49860
5615.0000 -94.57643 -91.90826 2.66817 2.05711 -91.39261 628.53531
5620.0000 -94.74775 -91.72313 3.02463 1.98420 -92.23112 544.97463
5625.0000 -93.91152 -91.40373 2.50778 2.03835 -91.60832 611.65692
5630.0000 -94.53734 -91.76162 2.77572 2.06319 -91.32269 583.83588
5635.0000 -93.98790 -90.92475 3.06315 2.08110 -91.11667 656.87836
5640.0000 -94.03024 -90.91993 3.11031 2.08352 -91.08891 623.88132
5645.0000 -94.49497 -91.09392 3.40105 2.09558 -90.95014 624.74538
5650.0000 -94.04505 -91.12599 2.91906 2.08385 -91.08505 619.63880
5655.0000 -94.39810 -91.41937 2.97873 2.04538 -91.52745 604.59427
5660.0000 -94.84985 -91.91084 2.93900 2.04793 -91.49818 570.34507
5665.0000 -94.78137 -91.72269 3.05868 2.02943 -91.71088 585.71226
5670.0000 -95.40868 -92.29054 3.11813 2.00981 -91.93650 590.41334
5675.0000 -94.52616 -91.55238 2.97378 2.04422 -91.54084 626.54661
5680.0000 -93.87282 -90.87204 3.00078 2.03815 -91.61062 611.40214
5685.0000 -93.98383 -90.60350 3.38033 2.12323 -90.63223 674.30117
5690.0000 -94.29978 -91.25792 3.04186 2.06109 -91.34684 610.70938
5695.0000 -93.59744 -91.66959 1.92785 2.04527 -91.52875 603.01281
5700.0000 -95.09599 -92.65552 2.44048 1.98925 -92.17297 541.94939
5705.0000 -95.70095 -92.96226 2.73869 1.97029 -92.39103 547.99752
5710.0000 -94.28629 -91.02888 3.25741 1.99379 -92.12074 580.76837
5715.0000 -94.10416 -90.64974 3.45442 2.07374 -91.20136 618.66136
5720.0000 -93.87131 -90.59763 3.27368 2.13186 -90.53294 677.98333
5725.0000 -94.83962 -91.25945 3.58018 2.07086 -91.23446 627.97955
5730.0000 -94.56495 -91.73521 2.82974 1.99893 -92.06170 557.25747
5735.0000 -95.36314 -92.34773 3.01541 2.01101 -91.92281 594.30029
5740.0000 -95.18860 -92.02521 3.16339 2.00319 -92.01267 562.74894
5745.0000 -94.46273 -91.03701 3.42571 2.08851 -91.03149 641.90680
5750.0000 -94.39812 -90.86320 3.53492 2.12377 -90.62601 695.32107
FREEZING PROCESS: loop number 24 T-loop= 582.00000000000000
main_MD> interactions number 24 at Temperature= 582.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.75849 -1.02607 -0.23603
force_rgl> df(natom) -0.66203 -1.92053 0.33810
5755.0000 -94.79518 -91.91328 2.88190 2.03897 -91.60119 584.91426
5760.0000 -95.18105 -91.54857 3.63248 2.03715 -91.62218 606.32544
5765.0000 -95.42367 -92.39327 3.03039 2.00193 -92.02714 559.96197
5770.0000 -95.34018 -92.25155 3.08863 2.00017 -92.04742 567.83920
5775.0000 -95.20231 -92.17801 3.02430 2.00301 -92.01470 575.89635
5780.0000 -95.24251 -92.17406 3.06846 2.00760 -91.96200 582.01617
5785.0000 -95.00067 -92.40946 2.59121 1.99010 -92.16325 564.78860
5790.0000 -94.05855 -91.28253 2.77602 2.00831 -91.95381 586.92939
5795.0000 -94.03053 -90.67013 3.36041 2.10290 -90.86598 626.37476
5800.0000 -94.37934 -91.24735 3.13199 2.07719 -91.16167 615.94204
5805.0000 -94.44492 -91.33913 3.10579 2.06657 -91.28375 604.56766
5810.0000 -94.11817 -91.43615 2.68202 2.04128 -91.57464 581.50486
5815.0000 -93.81039 -91.30511 2.50527 2.08701 -91.04878 609.28824
5820.0000 -93.80779 -90.75982 3.04797 2.10873 -90.79889 632.40400
5825.0000 -94.88726 -92.20232 2.68494 2.04905 -91.48525 589.96243
5830.0000 -94.99297 -92.69108 2.30189 1.97590 -92.32653 536.44238
5835.0000 -94.84114 -92.65787 2.18327 1.94881 -92.63802 499.03492
5840.0000 -94.48526 -91.87214 2.61312 2.01001 -91.93430 575.41313
5845.0000 -94.40524 -91.49198 2.91326 2.00363 -92.00764 553.16366
5850.0000 -94.38849 -91.02191 3.36658 2.07472 -91.19001 600.81744
5855.0000 -94.29103 -91.36481 2.92622 2.06007 -91.35857 578.45433
5860.0000 -94.75311 -91.95104 2.80207 2.05073 -91.46598 571.52199
5865.0000 -94.16432 -91.62887 2.53545 2.03165 -91.68534 549.96503
5870.0000 -93.69179 -91.84738 1.84441 2.01135 -91.91879 546.86255
5875.0000 -94.27113 -91.24978 3.02135 2.05483 -91.41879 613.93845
5880.0000 -94.65621 -91.74449 2.91172 2.06807 -91.26655 609.29716
5885.0000 -94.94498 -91.74213 3.20285 2.00695 -91.96948 576.46284
5890.0000 -94.74786 -91.88869 2.85917 2.05506 -91.41615 646.78415
5895.0000 -94.74698 -92.05580 2.69118 2.02200 -91.79639 584.61755
5900.0000 -94.12521 -90.91065 3.21456 2.03423 -91.65572 596.17108
5905.0000 -94.44988 -91.07954 3.37034 2.11003 -90.78401 665.61961
5910.0000 -94.88469 -91.23941 3.64528 2.05358 -91.43320 612.84639
5915.0000 -94.14650 -91.30811 2.83839 2.09241 -90.98663 638.13299
5920.0000 -94.56662 -91.89192 2.67470 2.03897 -91.60116 572.43901
5925.0000 -94.99817 -91.51504 3.48313 2.01816 -91.84050 588.74427
5930.0000 -93.96237 -90.73944 3.22292 2.08427 -91.08027 628.42564
5935.0000 -94.84945 -92.02151 2.82793 2.05835 -91.37830 589.84275
5940.0000 -93.96819 -91.37937 2.58882 2.06313 -91.32335 596.10705
5945.0000 -94.67909 -91.83907 2.84002 2.03089 -91.69411 593.92192
5950.0000 -94.12104 -90.93749 3.18355 2.04199 -91.56642 594.15167
5955.0000 -94.59482 -91.92590 2.66892 2.04087 -91.57940 592.07807
5960.0000 -94.34549 -91.89072 2.45477 2.00495 -91.99249 513.46110
5965.0000 -95.08230 -92.33245 2.74986 1.99843 -92.06748 568.50752
5970.0000 -94.89707 -92.10411 2.79296 2.00047 -92.04395 585.67231
5975.0000 -94.21252 -91.10265 3.10987 2.03684 -91.62571 613.70417
5980.0000 -94.25343 -91.23134 3.02209 2.07157 -91.22635 611.61458
5985.0000 -94.30852 -91.94009 2.36843 2.01808 -91.84145 572.59599
5990.0000 -94.33004 -91.38603 2.94402 2.02626 -91.74738 571.01728
5995.0000 -93.77939 -90.45615 3.32324 2.10451 -90.84743 632.04756
6000.0000 -94.77217 -91.58971 3.18246 2.07043 -91.23944 636.61860
FREEZING PROCESS: loop number 25 T-loop= 557.00000000000000
main_MD> interactions number 25 at Temperature= 557.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.72240 0.29421 0.82958
force_rgl> df(natom) -0.68182 -1.21013 0.45787
6005.0000 -95.23001 -92.68696 2.54305 1.99694 -92.08461 568.14165
6010.0000 -94.84802 -92.24262 2.60540 1.97743 -92.30894 533.41860
6015.0000 -94.20626 -90.81351 3.39275 2.04184 -91.56820 585.07884
6020.0000 -94.25327 -91.87446 2.37882 2.08858 -91.03068 615.27217
6025.0000 -94.06237 -91.19777 2.86460 2.06612 -91.28902 628.59984
6030.0000 -94.70852 -92.06027 2.64825 2.05829 -91.37902 609.44552
6035.0000 -94.86466 -92.02982 2.83484 1.98722 -92.19637 554.32118
6040.0000 -94.50188 -91.93842 2.56346 2.01809 -91.84134 568.33674
6045.0000 -94.49268 -91.77960 2.71308 2.03031 -91.70076 566.56436
6050.0000 -94.89721 -91.90719 2.99001 2.02738 -91.73455 569.91718
6055.0000 -95.24555 -92.44317 2.80238 1.98287 -92.24631 522.85641
6060.0000 -95.06762 -92.16430 2.90331 1.96200 -92.48639 522.45876
6065.0000 -94.40233 -92.08307 2.31926 2.01333 -91.89602 572.84848
6070.0000 -95.29066 -91.63227 3.65839 2.00160 -92.03092 543.51373
6075.0000 -94.32737 -91.12053 3.20684 2.05121 -91.46049 602.73510
6080.0000 -94.04545 -91.47729 2.56817 2.05248 -91.44580 576.03272
6085.0000 -95.17380 -92.29552 2.87828 2.03222 -91.67879 586.93325
6090.0000 -94.93443 -92.53893 2.39550 1.95164 -92.60555 527.04809
6095.0000 -94.94544 -91.69071 3.25473 1.97839 -92.29793 534.70116
6100.0000 -94.78561 -91.58444 3.20117 2.02887 -91.71735 577.73679
6105.0000 -94.31204 -90.81006 3.50198 2.04531 -91.52824 623.81188
6110.0000 -94.59589 -91.82676 2.76913 2.05139 -91.45835 595.14487
6115.0000 -95.16952 -91.84677 3.32275 2.04381 -91.54553 626.51772
6120.0000 -95.89872 -93.15398 2.74474 1.93211 -92.83018 511.33853
6125.0000 -95.83133 -93.50612 2.32521 1.90747 -93.11347 504.33165
6130.0000 -94.42063 -92.41203 2.00860 1.89025 -93.31158 487.39012
6135.0000 -95.40359 -92.46029 2.94330 1.96739 -92.42445 565.56437
6140.0000 -94.99217 -92.53342 2.45876 1.98839 -92.18293 559.74841
6145.0000 -94.51652 -91.98290 2.53363 1.99913 -92.05932 549.49845
6150.0000 -95.25315 -92.48866 2.76449 1.99384 -92.12027 537.90524
6155.0000 -94.43799 -91.81196 2.62603 1.98815 -92.18563 535.45986
6160.0000 -95.03306 -91.98393 3.04913 1.99435 -92.11430 557.49960
6165.0000 -94.87852 -92.03529 2.84323 2.00083 -92.03985 540.40166
6170.0000 -94.43365 -91.78663 2.64702 2.04027 -91.58629 601.14719
6175.0000 -93.73260 -90.42296 3.30964 2.06850 -91.26165 597.99120
6180.0000 -95.23119 -92.28705 2.94414 2.04022 -91.58687 599.67164
6185.0000 -94.99386 -91.84294 3.15092 2.01594 -91.86601 596.15488
6190.0000 -95.44490 -93.27546 2.16944 1.96723 -92.42629 546.04053
6195.0000 -95.39665 -92.88455 2.51210 1.91946 -92.97558 515.02978
6200.0000 -95.25150 -92.45378 2.79771 1.93748 -92.76836 517.36855
6205.0000 -94.43972 -91.14489 3.29483 2.00596 -91.98086 561.70810
6210.0000 -95.00854 -92.48064 2.52789 2.01542 -91.87204 562.73205
6215.0000 -94.78615 -92.07091 2.71524 1.99870 -92.06432 530.79130
6220.0000 -93.97993 -91.02804 2.95190 2.05048 -91.46878 577.66866
6225.0000 -94.80809 -91.73437 3.07372 2.02474 -91.76486 563.39278
6230.0000 -94.78703 -92.19465 2.59238 2.03214 -91.67976 568.30789
6235.0000 -95.08821 -91.92079 3.16742 2.02424 -91.77056 549.65736
6240.0000 -94.90522 -92.20051 2.70471 2.02700 -91.73880 571.52681
6245.0000 -94.26771 -91.75723 2.51048 2.01521 -91.87451 577.67922
6250.0000 -94.89574 -92.27211 2.62362 2.03534 -91.64289 604.21442
FREEZING PROCESS: loop number 26 T-loop= 532.00000000000000
main_MD> interactions number 26 at Temperature= 532.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.81209 0.41227 -2.33675
force_rgl> df(natom) 0.33191 1.44582 0.32524
6255.0000 -95.27369 -92.35389 2.91981 1.96331 -92.47134 524.73081
6260.0000 -95.50016 -92.15738 3.34278 2.00070 -92.04127 557.66291
6265.0000 -94.18312 -91.88543 2.29769 1.99537 -92.10264 555.90876
6270.0000 -95.32115 -92.79171 2.52945 1.98496 -92.22235 543.45768
6275.0000 -95.51284 -92.65614 2.85671 1.91851 -92.98649 487.67751
6280.0000 -94.56005 -91.89060 2.66945 1.99012 -92.16305 571.03244
6285.0000 -94.48864 -91.59113 2.89751 2.01770 -91.84578 566.62355
6290.0000 -94.57949 -91.84857 2.73092 2.01562 -91.86971 544.90185
6295.0000 -94.41510 -92.11289 2.30221 2.00261 -92.01930 571.66646
6300.0000 -95.06696 -92.27070 2.79626 1.98678 -92.20145 571.86322
6305.0000 -95.71621 -92.96852 2.74769 1.95856 -92.52591 537.89872
6310.0000 -94.95993 -92.04014 2.91979 1.95330 -92.58639 551.87239
6315.0000 -95.50049 -92.48859 3.01190 1.97902 -92.29059 579.33919
6320.0000 -95.25943 -92.38693 2.87250 1.97733 -92.31013 566.47142
6325.0000 -94.97993 -91.74789 3.23204 1.95618 -92.55336 539.29157
6330.0000 -94.58204 -91.79206 2.78998 2.00077 -92.04047 542.85983
6335.0000 -95.44778 -92.40982 3.03796 2.02120 -91.80551 568.75304
6340.0000 -95.55490 -92.91533 2.63957 1.94255 -92.71005 517.84497
6345.0000 -95.84994 -93.24546 2.60448 1.87645 -93.47019 467.16706
6350.0000 -95.44321 -92.84708 2.59613 1.95146 -92.60762 532.09079
6355.0000 -94.81132 -92.54454 2.26678 1.98372 -92.23657 557.14590
6360.0000 -94.83478 -92.55982 2.27496 1.92076 -92.96068 479.64360
6365.0000 -95.16141 -92.86178 2.29963 1.95572 -92.55857 522.87655
6370.0000 -95.16678 -92.73691 2.42987 1.91893 -92.98176 486.34648
6375.0000 -95.36049 -93.14702 2.21347 1.93361 -92.81283 506.15804
6380.0000 -94.72441 -92.78476 1.93965 1.94352 -92.69892 510.26737
6385.0000 -95.69484 -93.33500 2.35984 1.92485 -92.91360 524.78322
6390.0000 -95.98563 -93.24287 2.74276 1.86873 -93.55902 477.35092
6395.0000 -95.58344 -92.99068 2.59276 1.88340 -93.39035 494.16727
6400.0000 -94.83095 -92.61646 2.21449 1.94354 -92.69870 536.06231
6405.0000 -94.35294 -91.31555 3.03739 1.99437 -92.11417 547.61842
6410.0000 -94.31402 -90.80050 3.51352 2.05410 -91.42720 610.38576
6415.0000 -94.60759 -91.81064 2.79695 2.06305 -91.32429 614.91290
6420.0000 -94.63221 -92.01126 2.62095 1.99227 -92.13829 575.50704
6425.0000 -95.32053 -92.41252 2.90802 1.98523 -92.21923 580.77504
6430.0000 -95.61867 -92.41242 3.20625 1.93813 -92.76091 541.95922
6435.0000 -95.39889 -92.40113 2.99776 1.96787 -92.41890 574.29555
6440.0000 -95.47689 -92.59683 2.88007 1.96835 -92.41333 564.62991
6445.0000 -95.22547 -91.84876 3.37670 1.97465 -92.34086 572.60492
6450.0000 -94.96814 -92.11222 2.85592 2.01667 -91.85771 621.71990
6455.0000 -95.00836 -92.59242 2.41594 1.94182 -92.71847 560.96918
6460.0000 -94.96639 -92.03016 2.93623 1.95553 -92.56077 559.44813
6465.0000 -95.11985 -93.00561 2.11423 1.96962 -92.39870 530.13813
6470.0000 -95.38244 -92.96826 2.41417 1.92293 -92.93571 502.05450
6475.0000 -94.99662 -92.01954 2.97708 1.94971 -92.62777 507.55439
6480.0000 -94.91123 -92.49865 2.41258 1.97131 -92.37930 505.97813
6485.0000 -95.10897 -92.57803 2.53094 1.93252 -92.82545 482.72998
6490.0000 -95.70440 -92.80097 2.90343 1.95762 -92.53672 525.92044
6495.0000 -95.82836 -93.01459 2.81376 1.90803 -93.10706 491.33695
6500.0000 -95.36086 -92.79906 2.56179 1.93962 -92.74381 522.07908
FREEZING PROCESS: loop number 27 T-loop= 507.00000000000000
main_MD> interactions number 27 at Temperature= 507.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.38991 -3.02749 3.19175
force_rgl> df(natom) -3.53838 -2.51413 -1.97711
6505.0000 -95.43346 -92.43023 3.00322 1.98908 -92.17492 551.13102
6510.0000 -95.02996 -92.07355 2.95641 1.97331 -92.35635 516.34459
6515.0000 -94.26065 -91.83779 2.42286 1.97559 -92.33006 519.32474
6520.0000 -95.55721 -93.30494 2.25227 1.94976 -92.62710 515.45532
6525.0000 -95.34763 -92.81115 2.53647 1.91655 -93.00905 485.77466
6530.0000 -95.78142 -93.40252 2.37890 1.89306 -93.27925 484.17660
6535.0000 -95.62687 -93.12045 2.50643 1.88796 -93.33787 468.60555
6540.0000 -95.39307 -93.32243 2.07064 1.87902 -93.44070 438.52501
6545.0000 -95.44844 -92.96589 2.48255 1.90182 -93.17843 459.55879
6550.0000 -95.55081 -92.78315 2.76766 1.92055 -92.96309 492.25084
6555.0000 -95.31995 -92.36001 2.95994 1.95398 -92.57862 524.82224
6560.0000 -95.44154 -93.02509 2.41644 1.92060 -92.96248 484.70375
6565.0000 -95.44541 -93.02054 2.42487 1.91959 -92.97408 516.17846
6570.0000 -95.56655 -92.66863 2.89792 1.94511 -92.68058 550.15998
6575.0000 -95.10183 -92.04831 3.05352 1.96027 -92.50622 549.92516
6580.0000 -95.24355 -91.97212 3.27144 1.97947 -92.28547 546.08430
6585.0000 -95.63155 -93.08910 2.54245 1.97087 -92.38440 525.23074
6590.0000 -95.56539 -93.16603 2.39936 1.91227 -93.05825 479.62572
6595.0000 -94.70729 -91.87830 2.82899 1.96695 -92.42947 552.68838
6600.0000 -94.90794 -91.65444 3.25351 2.00142 -92.03303 590.79510
6605.0000 -95.38967 -93.07825 2.31142 1.93534 -92.79302 533.46563
6610.0000 -95.72613 -93.20530 2.52083 1.89840 -93.21784 508.06156
6615.0000 -95.72598 -93.05854 2.66745 1.92984 -92.85624 517.60123
6620.0000 -95.44642 -92.42691 3.01951 1.95767 -92.53619 534.26544
6625.0000 -94.94842 -92.32291 2.62552 1.99211 -92.14011 569.74049
6630.0000 -95.41987 -92.84633 2.57354 1.93181 -92.83355 521.95696
6635.0000 -95.19777 -92.52961 2.66816 1.94544 -92.67679 550.23428
6640.0000 -95.17671 -92.21074 2.96597 1.96401 -92.46332 524.98464
6645.0000 -95.65094 -92.90535 2.74559 1.94681 -92.66107 507.88752
6650.0000 -95.87587 -93.11977 2.75610 1.91033 -93.08065 490.09828
6655.0000 -94.83363 -92.44993 2.38370 1.94681 -92.66104 535.23228
6660.0000 -95.54057 -93.36579 2.17478 1.95644 -92.55038 539.33222
6665.0000 -95.96104 -93.39301 2.56803 1.87836 -93.44824 449.96389
6670.0000 -95.66677 -93.44183 2.22495 1.90130 -93.18445 484.42770
6675.0000 -95.01052 -92.67592 2.33459 1.92435 -92.91934 499.57356
6680.0000 -95.46560 -92.49819 2.96741 1.97847 -92.29702 540.68038
6685.0000 -95.12638 -93.07696 2.04942 1.95616 -92.55358 505.94241
6690.0000 -95.02144 -92.92009 2.10135 1.92327 -92.93175 480.70228
6695.0000 -95.26787 -92.09496 3.17290 1.95668 -92.54758 527.31881
6700.0000 -95.05015 -92.33583 2.71432 1.97935 -92.28690 554.81631
6705.0000 -94.85391 -92.48379 2.37011 1.98091 -92.26885 531.62341
6710.0000 -94.92128 -92.22097 2.70031 1.95685 -92.54556 513.29006
6715.0000 -94.61086 -91.85738 2.75348 1.99319 -92.12766 558.41220
6720.0000 -95.19018 -92.65423 2.53595 1.99600 -92.09535 556.34459
6725.0000 -95.70973 -93.33330 2.37643 1.91505 -93.02636 496.05636
6730.0000 -95.68832 -93.31586 2.37246 1.88251 -93.40055 454.69252
6735.0000 -95.26042 -93.09725 2.16316 1.91251 -93.05555 485.96597
6740.0000 -95.81170 -93.15835 2.65335 1.89477 -93.25958 459.75326
6745.0000 -95.90267 -93.24772 2.65495 1.94444 -92.68829 531.00139
6750.0000 -95.42734 -92.84333 2.58401 1.90601 -93.13024 499.08165
FREEZING PROCESS: loop number 28 T-loop= 482.00000000000000
main_MD> interactions number 28 at Temperature= 482.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.92645 2.66793 2.94695
force_rgl> df(natom) 0.80995 -0.01990 0.53826
6755.0000 -95.21304 -92.64828 2.56477 1.91237 -93.05717 494.33901
6760.0000 -95.48598 -93.51450 1.97148 1.89332 -93.27626 482.96396
6765.0000 -95.34074 -93.10440 2.23634 1.84349 -93.84931 427.53203
6770.0000 -95.27308 -92.41083 2.86225 1.91506 -93.02623 494.41333
6775.0000 -95.74301 -93.09565 2.64736 1.92565 -92.90437 518.10985
6780.0000 -95.37311 -93.13197 2.24113 1.89944 -93.20583 468.94462
6785.0000 -95.93999 -93.53883 2.40116 1.87793 -93.45320 452.59138
6790.0000 -95.14947 -92.83360 2.31587 1.91082 -93.07502 460.14713
6795.0000 -94.81117 -92.79145 2.01972 1.92373 -92.92655 487.65394
6800.0000 -95.00913 -92.52581 2.48331 1.92405 -92.92284 468.75424
6805.0000 -94.60580 -92.31509 2.29070 1.94239 -92.71192 506.81091
6810.0000 -95.30456 -92.85834 2.44622 1.93896 -92.75133 504.73468
6815.0000 -95.11618 -92.13342 2.98276 1.95119 -92.61071 514.73965
6820.0000 -95.89476 -92.76583 3.12893 1.95042 -92.61960 524.87410
6825.0000 -95.34567 -92.97387 2.37180 1.92463 -92.91619 506.18805
6830.0000 -95.62514 -93.30143 2.32371 1.93254 -92.82519 522.22491
6835.0000 -95.61635 -92.38388 3.23247 1.90860 -93.10050 486.90675
6840.0000 -95.68521 -92.49620 3.18901 1.96942 -92.40109 544.96314
6845.0000 -95.68432 -92.97967 2.70465 1.93163 -92.83570 522.27826
6850.0000 -95.86575 -93.46864 2.39711 1.91592 -93.01630 495.04371
6855.0000 -95.80279 -93.50833 2.29446 1.89849 -93.21671 484.98435
6860.0000 -95.73414 -93.09183 2.64232 1.90255 -93.17011 487.70402
6865.0000 -96.19896 -93.67615 2.52281 1.91190 -93.06251 512.78129
6870.0000 -96.15687 -93.28084 2.87602 1.89787 -93.22387 511.31978
6875.0000 -96.18530 -93.57481 2.61049 1.85271 -93.74330 472.61917
6880.0000 -95.81212 -93.66392 2.14820 1.90532 -93.13821 510.74453
6885.0000 -95.60473 -93.57953 2.02520 1.86692 -93.57979 451.59837
6890.0000 -94.39360 -91.83907 2.55453 1.93371 -92.81168 498.32696
6895.0000 -94.99271 -92.80120 2.19151 1.98425 -92.23046 563.06226
6900.0000 -95.03661 -92.52084 2.51577 1.94571 -92.67367 497.15096
6905.0000 -96.02658 -93.26831 2.75828 1.92074 -92.96088 482.37010
6910.0000 -95.66831 -93.40425 2.26406 1.86742 -93.57408 440.00204
6915.0000 -95.32184 -92.93887 2.38297 1.90749 -93.11323 484.28030
6920.0000 -96.35850 -93.89451 2.46400 1.90221 -93.17404 490.12643
6925.0000 -95.54328 -93.33544 2.20784 1.85946 -93.66557 433.80443
6930.0000 -95.31550 -93.03850 2.27700 1.93295 -92.82045 497.76778
6935.0000 -95.47858 -92.80870 2.66988 1.93162 -92.83579 484.26079
6940.0000 -95.16239 -92.55065 2.61174 1.92054 -92.96314 493.51922
6945.0000 -95.55463 -92.45849 3.09614 1.95004 -92.62391 504.56739
6950.0000 -94.83958 -92.08848 2.75110 1.94522 -92.67935 486.58663
6955.0000 -95.14781 -92.13415 3.01366 1.97805 -92.30178 532.75365
6960.0000 -95.55791 -92.85734 2.70057 1.97111 -92.38161 532.82991
6965.0000 -96.09468 -93.68465 2.41003 1.90597 -93.13069 505.23111
6970.0000 -96.09655 -93.36669 2.72985 1.84812 -93.79609 460.18946
6975.0000 -95.18202 -92.59489 2.58713 1.91336 -93.04577 523.36455
6980.0000 -95.46169 -93.00154 2.46015 1.93713 -92.77244 505.28895
6985.0000 -94.98530 -92.64920 2.33610 1.91461 -93.03140 477.67052
6990.0000 -95.40425 -92.79589 2.60836 1.89562 -93.24973 472.25419
6995.0000 -95.20655 -92.85602 2.35053 1.93440 -92.80380 509.56726
7000.0000 -95.78311 -92.72817 3.05494 1.94366 -92.69733 515.17615
FREEZING PROCESS: loop number 29 T-loop= 457.00000000000000
main_MD> interactions number 29 at Temperature= 457.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.83171 -0.88209 -0.48849
force_rgl> df(natom) 1.55191 0.16543 0.42672
7005.0000 -95.32542 -93.18763 2.13779 1.92842 -92.87259 511.86186
7010.0000 -95.52881 -93.13399 2.39481 1.91135 -93.06886 497.42823
7015.0000 -95.67521 -93.13350 2.54171 1.93771 -92.76578 524.77183
7020.0000 -95.39722 -93.07544 2.32178 1.90278 -93.16748 477.44202
7025.0000 -95.50135 -93.02263 2.47872 1.92080 -92.96020 491.66856
7030.0000 -95.94995 -93.67335 2.27660 1.88893 -93.32675 456.49666
7035.0000 -95.90576 -93.77407 2.13169 1.85948 -93.66539 451.38459
7040.0000 -96.27400 -93.61748 2.65653 1.85732 -93.69021 462.34729
7045.0000 -95.77674 -93.94263 1.83411 1.87571 -93.47875 466.67488
7050.0000 -95.25063 -93.20786 2.04277 1.85726 -93.69087 432.36577
7055.0000 -95.73305 -93.57942 2.15363 1.85527 -93.71380 445.13062
7060.0000 -95.91417 -93.53552 2.37866 1.87524 -93.48414 471.71745
7065.0000 -95.87112 -93.69677 2.17435 1.87355 -93.50358 461.10937
7070.0000 -95.94940 -93.46975 2.47966 1.84021 -93.88705 427.68601
7075.0000 -96.12418 -93.74733 2.37685 1.83887 -93.90238 432.48442
7080.0000 -96.52425 -94.49509 2.02916 1.81668 -94.15760 406.87974
7085.0000 -96.81634 -95.07428 1.74206 1.76373 -94.76655 355.52621
7090.0000 -96.13583 -94.06989 2.06594 1.79941 -94.35619 399.23654
7095.0000 -96.58501 -94.63335 1.95167 1.80850 -94.25173 397.25702
7100.0000 -95.93515 -93.97335 1.96180 1.80543 -94.28699 367.13097
7105.0000 -95.42464 -92.86149 2.56315 1.86158 -93.64120 435.41368
7110.0000 -95.77015 -93.45427 2.31588 1.89072 -93.30615 477.84762
7115.0000 -95.75555 -93.39129 2.36426 1.88033 -93.42566 463.98196
7120.0000 -95.86716 -93.82007 2.04709 1.86202 -93.63618 446.89983
7125.0000 -95.88390 -93.74643 2.13747 1.89694 -93.23458 484.72207
7130.0000 -95.68275 -93.26251 2.42024 1.89214 -93.28980 455.29195
7135.0000 -95.55356 -93.58548 1.96809 1.87551 -93.48108 451.76357
7140.0000 -95.79436 -93.13527 2.65910 1.86105 -93.64737 437.52113
7145.0000 -95.90798 -93.34688 2.56110 1.88357 -93.38833 450.74778
7150.0000 -95.81859 -93.44645 2.37214 1.88949 -93.32033 471.10666
7155.0000 -95.59805 -93.54385 2.05420 1.87004 -93.54392 422.64703
7160.0000 -95.25193 -92.84605 2.40589 1.90907 -93.09506 458.08167
7165.0000 -95.39162 -92.22021 3.17141 1.94557 -92.67535 492.10266
7170.0000 -94.94495 -92.09877 2.84618 1.98279 -92.24730 538.92622
7175.0000 -95.43377 -93.27072 2.16304 1.96063 -92.50212 501.66980
7180.0000 -95.29652 -93.23254 2.06398 1.88084 -93.41977 444.85654
7185.0000 -95.76149 -93.37276 2.38873 1.87687 -93.46544 437.80974
7190.0000 -95.60512 -92.96797 2.63715 1.89523 -93.25430 474.22454
7195.0000 -95.98586 -93.91429 2.07157 1.86781 -93.56960 448.95168
7200.0000 -95.85852 -93.78920 2.06932 1.85206 -93.75074 414.57962
7205.0000 -96.40120 -94.63730 1.76390 1.80960 -94.23905 385.49085
7210.0000 -96.10368 -94.35456 1.74912 1.82354 -94.07869 393.88829
7215.0000 -96.17019 -94.06865 2.10154 1.80964 -94.23853 369.25243
7220.0000 -95.92380 -93.92350 2.00030 1.86005 -93.65889 427.53456
7225.0000 -96.13381 -94.17961 1.95420 1.81811 -94.14112 383.60052
7230.0000 -96.03544 -93.80226 2.23317 1.83263 -93.97412 417.24341
7235.0000 -96.33267 -94.28161 2.05106 1.84820 -93.79515 415.74383
7240.0000 -95.95604 -94.27758 1.67846 1.81262 -94.20426 411.79343
7245.0000 -96.13388 -93.83665 2.29723 1.84548 -93.82636 442.66805
7250.0000 -96.11561 -94.34693 1.76868 1.84148 -93.87236 433.14455
FREEZING PROCESS: loop number 30 T-loop= 432.00000000000000
main_MD> interactions number 30 at Temperature= 432.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.93906 2.22579 -1.62199
force_rgl> df(natom) -0.90701 -1.44006 -0.71012
7255.0000 -96.10093 -94.38986 1.71106 1.79149 -94.44725 375.46261
7260.0000 -96.35882 -93.67498 2.68384 1.79468 -94.41061 383.00237
7265.0000 -96.01867 -93.87189 2.14678 1.83573 -93.93847 441.52755
7270.0000 -96.01429 -93.83281 2.18148 1.86098 -93.64811 441.78519
7275.0000 -95.51894 -93.61929 1.89965 1.82603 -94.05003 408.39330
7280.0000 -96.24301 -94.38255 1.86046 1.84932 -93.78228 420.43480
7285.0000 -95.63373 -93.76994 1.86379 1.84190 -93.86756 403.24690
7290.0000 -95.46417 -93.55293 1.91124 1.86467 -93.60571 429.32246
7295.0000 -96.31585 -93.67924 2.63661 1.87371 -93.50178 444.17837
7300.0000 -96.14470 -93.86270 2.28200 1.81357 -94.19341 384.60442
7305.0000 -95.80195 -93.54906 2.25289 1.82996 -94.00493 399.20204
7310.0000 -95.48665 -93.40897 2.07768 1.88657 -93.35384 461.17796
7315.0000 -95.11356 -93.18496 1.92861 1.89126 -93.29988 457.91288
7320.0000 -95.58328 -93.38164 2.20164 1.88941 -93.32117 449.81975
7325.0000 -96.08902 -93.57816 2.51086 1.84385 -93.84514 429.14525
7330.0000 -96.42976 -94.25882 2.17095 1.84354 -93.84872 428.77315
7335.0000 -96.13715 -93.61474 2.52240 1.84831 -93.79388 440.51808
7340.0000 -95.84357 -93.62791 2.21566 1.83979 -93.89180 428.86670
7345.0000 -96.08687 -94.46757 1.61929 1.83371 -93.96177 416.72076
7350.0000 -96.28178 -94.53617 1.74560 1.81624 -94.16266 398.48840
7355.0000 -95.60826 -93.59599 2.01227 1.85310 -93.73879 433.08356
7360.0000 -95.70827 -93.72439 1.98388 1.87488 -93.48826 454.98145
7365.0000 -95.77358 -93.60165 2.17193 1.83851 -93.90658 423.21737
7370.0000 -95.61160 -93.21870 2.39289 1.86723 -93.57632 447.99935
7375.0000 -95.53579 -93.55452 1.98127 1.87358 -93.50323 440.43454
7380.0000 -96.52648 -94.21246 2.31402 1.82008 -94.11854 422.74055
7385.0000 -96.42042 -94.26143 2.15899 1.82269 -94.08846 408.41121
7390.0000 -96.09142 -94.01568 2.07574 1.80381 -94.30566 389.85225
7395.0000 -96.33486 -94.02139 2.31347 1.81425 -94.18555 399.96504
7400.0000 -96.40962 -94.18871 2.22090 1.82770 -94.03082 423.22818
7405.0000 -96.59781 -94.36688 2.23094 1.79382 -94.42053 399.84989
7410.0000 -96.15279 -94.23200 1.92079 1.80441 -94.29869 413.73387
7415.0000 -96.00106 -93.55700 2.44406 1.84017 -93.88742 451.29462
7420.0000 -95.82289 -92.92309 2.89980 1.88964 -93.31856 489.72852
7425.0000 -96.49797 -94.40569 2.09228 1.87365 -93.50245 470.51701
7430.0000 -96.70046 -94.44652 2.25394 1.81610 -94.16424 431.63333
7435.0000 -96.57686 -94.43306 2.14380 1.80053 -94.34330 415.28568
7440.0000 -95.93419 -93.99583 1.93836 1.80552 -94.28599 409.01586
7445.0000 -96.03588 -93.51774 2.51814 1.84158 -93.87124 445.67718
7450.0000 -95.85732 -93.42579 2.43152 1.87620 -93.47309 483.58365
7455.0000 -95.67024 -93.42414 2.24610 1.87006 -93.54375 483.02583
7460.0000 -95.88695 -93.71810 2.16886 1.86930 -93.55242 475.94420
7465.0000 -95.99785 -93.94684 2.05102 1.86706 -93.57825 487.05990
7470.0000 -96.46496 -94.31471 2.15025 1.81178 -94.21397 421.26026
7475.0000 -96.72129 -94.69304 2.02826 1.77985 -94.58115 378.93835
7480.0000 -96.36272 -94.07133 2.29139 1.82733 -94.03509 429.78694
7485.0000 -96.95907 -94.67516 2.28391 1.79092 -94.45389 405.22359
7490.0000 -95.98375 -93.75972 2.22403 1.80243 -94.32150 412.42660
7495.0000 -96.11425 -93.78811 2.32614 1.83781 -93.91466 448.57148
7500.0000 -96.16701 -94.05160 2.11541 1.85120 -93.76063 463.35888
FREEZING PROCESS: loop number 31 T-loop= 407.00000000000000
main_MD> interactions number 31 at Temperature= 407.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.53702 0.68225 1.64378
force_rgl> df(natom) -0.35743 -2.09073 -2.48744
7505.0000 -96.02400 -94.04232 1.98168 1.83531 -93.94333 450.52060
7510.0000 -96.63954 -94.29375 2.34578 1.82230 -94.09300 429.12729
7515.0000 -95.95403 -93.60812 2.34591 1.81339 -94.19542 431.59253
7520.0000 -96.40630 -94.52287 1.88343 1.82197 -94.09676 433.82086
7525.0000 -97.04037 -95.01824 2.02213 1.76386 -94.76508 382.40823
7530.0000 -96.15365 -94.03561 2.11804 1.78619 -94.50823 398.88419
7535.0000 -96.53998 -94.22475 2.31523 1.82103 -94.10755 433.35391
7540.0000 -96.35398 -94.45560 1.89838 1.78542 -94.51715 387.43805
7545.0000 -96.46963 -94.16353 2.30610 1.81193 -94.21223 406.09130
7550.0000 -96.37646 -94.27660 2.09986 1.80384 -94.30525 389.97739
7555.0000 -96.16706 -93.92830 2.23876 1.81194 -94.21214 425.07724
7560.0000 -95.80793 -93.67964 2.12829 1.85268 -93.74361 452.15396
7565.0000 -96.04953 -93.98389 2.06565 1.83096 -93.99340 427.68332
7570.0000 -96.78027 -94.44691 2.33336 1.83650 -93.92963 445.78050
7575.0000 -96.15492 -94.59455 1.56037 1.78082 -94.57004 383.72232
7580.0000 -96.28442 -94.25848 2.02594 1.78063 -94.57223 387.22399
7585.0000 -96.38808 -94.05082 2.33726 1.81502 -94.17667 427.43493
7590.0000 -96.99547 -95.08184 1.91364 1.79792 -94.37333 409.77577
7595.0000 -96.65844 -94.89378 1.76466 1.73840 -95.05785 348.04733
7600.0000 -96.63968 -94.76017 1.87952 1.76562 -94.74483 373.40519
7605.0000 -96.39630 -94.37449 2.02181 1.77383 -94.65035 390.24016
7610.0000 -96.53644 -94.48839 2.04804 1.77225 -94.66857 392.51446
7615.0000 -96.31097 -93.99559 2.31538 1.80455 -94.29712 420.02756
7620.0000 -95.97086 -93.94705 2.02380 1.83692 -93.92489 452.75999
7625.0000 -96.72666 -94.73408 1.99258 1.80442 -94.29858 412.93448
7630.0000 -96.75492 -95.06737 1.68755 1.74381 -94.99567 351.32850
7635.0000 -96.58546 -95.23227 1.35319 1.74962 -94.92879 352.07315
7640.0000 -96.45964 -94.72544 1.73420 1.77114 -94.68134 390.40857
7645.0000 -96.70695 -94.86748 1.83946 1.77681 -94.61612 383.02121
7650.0000 -96.78594 -94.78370 2.00224 1.74830 -94.94405 352.22603
7655.0000 -97.11055 -95.23832 1.87223 1.75729 -94.84060 367.01138
7660.0000 -96.58363 -95.24851 1.33512 1.72665 -95.19295 345.83422
7665.0000 -96.57298 -94.34838 2.22460 1.76446 -94.75815 366.07761
7670.0000 -96.49017 -93.97513 2.51504 1.81789 -94.14364 426.00464
7675.0000 -97.03452 -94.67299 2.36153 1.82667 -94.04271 439.49605
7680.0000 -96.97192 -94.61443 2.35749 1.80539 -94.28742 412.25389
7685.0000 -96.98091 -94.80156 2.17935 1.77572 -94.62864 385.95259
7690.0000 -96.55580 -94.15556 2.40024 1.77177 -94.67407 385.90237
7695.0000 -95.73344 -93.73526 1.99819 1.83225 -93.97854 442.82997
7700.0000 -96.01779 -93.59635 2.42143 1.85135 -93.75885 445.95233
7705.0000 -96.49041 -94.79935 1.69106 1.79329 -94.42661 397.76705
7710.0000 -95.92403 -93.67435 2.24968 1.81294 -94.20066 408.62200
7715.0000 -96.46753 -94.11845 2.34909 1.84391 -93.84449 448.44178
7720.0000 -96.02065 -94.23393 1.78672 1.80521 -94.28953 412.56745
7725.0000 -96.49199 -94.62539 1.86660 1.78715 -94.49717 397.37374
7730.0000 -96.89042 -94.95305 1.93737 1.77081 -94.68517 384.84321
7735.0000 -96.96794 -95.02563 1.94231 1.75003 -94.92414 366.34562
7740.0000 -96.76515 -94.63087 2.13428 1.76286 -94.77660 376.52554
7745.0000 -96.12472 -94.09978 2.02494 1.80534 -94.28805 414.11484
7750.0000 -96.17924 -94.33727 1.84197 1.78657 -94.50385 385.41538
FREEZING PROCESS: loop number 32 T-loop= 382.00000000000000
main_MD> interactions number 32 at Temperature= 382.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.85298 -2.20293 0.52501
force_rgl> df(natom) 3.27309 -0.68863 1.00836
7755.0000 -96.29245 -94.09432 2.19813 1.79931 -94.35735 408.71234
7760.0000 -96.16199 -93.94757 2.21442 1.83126 -93.98994 439.57401
7765.0000 -96.46240 -94.10554 2.35686 1.82933 -94.01210 436.73544
7770.0000 -96.46428 -94.77071 1.69357 1.80586 -94.28202 411.89341
7775.0000 -96.21031 -94.05839 2.15192 1.78589 -94.51173 391.54250
7780.0000 -95.97845 -93.95567 2.02278 1.81340 -94.19529 422.15440
7785.0000 -96.14559 -93.76572 2.37987 1.83524 -93.94418 445.98575
7790.0000 -96.25126 -94.46000 1.79126 1.81323 -94.19733 422.99150
7795.0000 -96.32947 -93.94853 2.38094 1.82951 -94.01008 439.99745
7800.0000 -96.45267 -94.34760 2.10507 1.80290 -94.31611 402.54907
7805.0000 -96.53955 -94.68556 1.85398 1.78650 -94.50466 391.57375
7810.0000 -96.36509 -94.35584 2.00925 1.78393 -94.53421 390.50060
7815.0000 -96.00955 -94.11387 1.89568 1.82176 -94.09918 420.86383
7820.0000 -96.86187 -94.55997 2.30190 1.79668 -94.38764 406.99123
7825.0000 -96.53445 -94.51411 2.02034 1.79922 -94.35844 406.37961
7830.0000 -96.05064 -93.66889 2.38175 1.81014 -94.23287 405.71677
7835.0000 -95.87008 -94.08131 1.78877 1.80902 -94.24567 418.38388
7840.0000 -96.43204 -93.76391 2.66813 1.81635 -94.16139 424.06570
7845.0000 -96.36605 -94.46921 1.89683 1.81729 -94.15058 423.54721
7850.0000 -96.65089 -94.76568 1.88522 1.76575 -94.74332 380.88479
7855.0000 -96.72410 -94.54687 2.17723 1.76048 -94.80394 385.27993
7860.0000 -96.62239 -94.66769 1.95470 1.76399 -94.76360 381.18450
7865.0000 -96.62162 -94.66327 1.95835 1.75484 -94.86881 358.99838
7870.0000 -97.03405 -95.18901 1.84505 1.73307 -95.11920 354.14436
7875.0000 -96.59687 -94.65384 1.94303 1.75185 -94.90320 380.22320
7880.0000 -96.82242 -94.54407 2.27835 1.79199 -94.44154 408.89973
7885.0000 -96.87090 -94.94310 1.92780 1.75818 -94.83037 374.15170
7890.0000 -96.65972 -95.06624 1.59348 1.76431 -94.75989 367.02809
7895.0000 -96.87049 -95.08312 1.78737 1.74823 -94.94486 373.44732
7900.0000 -96.23645 -94.54366 1.69279 1.76959 -94.69916 372.80995
7905.0000 -96.73296 -94.55733 2.17564 1.77360 -94.65299 397.43666
7910.0000 -96.85946 -94.68582 2.17364 1.76651 -94.73463 388.36816
7915.0000 -96.95932 -95.17208 1.78724 1.73952 -95.04493 353.45886
7920.0000 -96.90573 -94.95723 1.94850 1.72757 -95.18243 342.93991
7925.0000 -96.59354 -94.38938 2.20417 1.78959 -94.46920 405.96107
7930.0000 -97.09405 -95.23811 1.85594 1.76718 -94.72683 383.34299
7935.0000 -96.53566 -94.58974 1.94592 1.74128 -95.02477 364.27965
7940.0000 -96.53489 -94.32901 2.20588 1.79451 -94.41253 412.65526
7945.0000 -96.83751 -94.85492 1.98259 1.77761 -94.60697 378.55405
7950.0000 -96.42902 -94.66855 1.76047 1.74618 -94.96844 352.57265
7955.0000 -96.33254 -94.87174 1.46081 1.77900 -94.59094 384.25430
7960.0000 -96.40598 -93.82853 2.57745 1.77899 -94.59108 377.38401
7965.0000 -96.42418 -93.96224 2.46194 1.82373 -94.07657 419.84933
7970.0000 -95.81684 -94.02368 1.79316 1.80879 -94.24834 381.27857
7975.0000 -96.33078 -94.34770 1.98307 1.82214 -94.09477 394.63819
7980.0000 -95.94471 -94.37306 1.57165 1.81985 -94.12118 380.42762
7985.0000 -95.73923 -93.68451 2.05472 1.83801 -93.91228 390.44295
7990.0000 -96.50262 -93.95014 2.55248 1.85880 -93.67324 437.17573
7995.0000 -96.47230 -94.64895 1.82335 1.79507 -94.40608 386.06756
8000.0000 -96.80141 -95.28764 1.51376 1.75701 -94.84378 356.73113
FREEZING PROCESS: loop number 33 T-loop= 357.00000000000000
main_MD> interactions number 33 at Temperature= 357.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.54318 -3.92680 1.90749
force_rgl> df(natom) 2.29667 -1.53982 -0.97464
8005.0000 -97.16539 -95.42698 1.73840 1.72596 -95.20091 326.93009
8010.0000 -96.96465 -95.05124 1.91340 1.73394 -95.10911 343.62480
8015.0000 -96.71565 -95.15022 1.56543 1.74347 -94.99958 345.00659
8020.0000 -97.01331 -95.46808 1.54523 1.72874 -95.16895 335.53966
8025.0000 -96.98592 -95.26710 1.71882 1.70681 -95.42114 313.11576
8030.0000 -97.05916 -95.28517 1.77399 1.73902 -95.05069 348.12467
8035.0000 -96.83988 -95.41255 1.42733 1.71389 -95.33968 325.11191
8040.0000 -96.84955 -95.02228 1.82727 1.71591 -95.31651 324.31502
8045.0000 -97.13827 -95.04487 2.09340 1.75769 -94.83604 364.63414
8050.0000 -96.65523 -94.74814 1.90708 1.75994 -94.81016 365.61966
8055.0000 -96.43617 -94.79355 1.64262 1.74635 -94.96642 361.14000
8060.0000 -97.18872 -95.17951 2.00922 1.75286 -94.89154 362.34367
8065.0000 -96.73385 -94.72177 2.01208 1.71915 -95.27923 329.26775
8070.0000 -96.97042 -95.12485 1.84557 1.74266 -95.00882 348.42504
8075.0000 -96.69969 -94.41471 2.28498 1.73635 -95.08140 341.52004
8080.0000 -96.31889 -94.42756 1.89133 1.78617 -94.50851 399.47535
8085.0000 -96.81967 -95.59064 1.22903 1.74957 -94.92934 360.61022
8090.0000 -97.06274 -95.29290 1.76984 1.71972 -95.27271 325.92071
8095.0000 -96.91949 -95.40881 1.51067 1.72232 -95.24275 328.39528
8100.0000 -96.80364 -95.13688 1.66677 1.72023 -95.26681 326.77599
8105.0000 -96.57910 -94.38805 2.19106 1.75380 -94.88078 346.29810
8110.0000 -96.54403 -95.01905 1.52497 1.76992 -94.69534 368.25826
8115.0000 -96.88534 -95.34495 1.54039 1.72139 -95.25345 314.29905
8120.0000 -96.78046 -94.91655 1.86391 1.72537 -95.20766 317.27817
8125.0000 -96.50553 -94.60548 1.90005 1.75991 -94.81054 369.69983
8130.0000 -96.85870 -95.46439 1.39431 1.72073 -95.26101 331.45448
8135.0000 -97.10209 -95.36202 1.74006 1.72085 -95.25964 329.77102
8140.0000 -97.08569 -95.26946 1.81623 1.72938 -95.16160 342.63950
8145.0000 -96.26920 -94.67278 1.59642 1.71894 -95.28160 327.28720
8150.0000 -96.90196 -94.67940 2.22256 1.73477 -95.09962 345.66787
8155.0000 -96.89022 -95.11949 1.77073 1.75983 -94.81137 368.76291
8160.0000 -96.46605 -94.95005 1.51601 1.72774 -95.18041 324.72653
8165.0000 -96.77275 -95.61267 1.16008 1.72496 -95.21236 329.91818
8170.0000 -97.07588 -94.88042 2.19547 1.71219 -95.35924 321.40563
8175.0000 -96.60163 -94.87450 1.72713 1.73630 -95.08203 349.56385
8180.0000 -96.91643 -94.97516 1.94128 1.74096 -95.02844 349.02321
8185.0000 -96.51677 -94.63383 1.88294 1.76341 -94.77021 375.93828
8190.0000 -96.81035 -95.10447 1.70588 1.74177 -95.01915 349.99439
8195.0000 -96.98060 -95.28446 1.69614 1.74384 -94.99532 354.69330
8200.0000 -96.45477 -94.30022 2.15455 1.76279 -94.77737 374.62406
8205.0000 -96.35797 -94.25195 2.10602 1.81894 -94.13162 428.87123
8210.0000 -96.65733 -94.73232 1.92502 1.79684 -94.38572 407.30114
8215.0000 -97.14159 -95.32956 1.81203 1.72883 -95.16793 340.75019
8220.0000 -96.96672 -94.99057 1.97616 1.72328 -95.23170 325.30549
8225.0000 -96.50736 -95.06637 1.44099 1.73334 -95.11610 336.75514
8230.0000 -96.95365 -95.24538 1.70827 1.75353 -94.88383 355.23313
8235.0000 -96.36662 -94.26363 2.10299 1.75228 -94.89827 367.60738
8240.0000 -96.82979 -94.78523 2.04456 1.79889 -94.36219 416.19879
8245.0000 -96.58812 -94.48380 2.10432 1.78717 -94.49696 401.15933
8250.0000 -97.06084 -94.97564 2.08519 1.75522 -94.86437 355.96985
FREEZING PROCESS: loop number 34 T-loop= 332.00000000000000
main_MD> interactions number 34 at Temperature= 332.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84698 1.05509 -0.55833
force_rgl> df(natom) 0.19952 0.35886 -0.41975
8255.0000 -96.93694 -94.87640 2.06054 1.75720 -94.84165 370.50494
8260.0000 -96.82314 -95.02122 1.80193 1.74462 -94.98634 353.76552
8265.0000 -96.72039 -95.09494 1.62546 1.73751 -95.06808 339.30629
8270.0000 -96.91517 -95.03936 1.87581 1.72871 -95.16929 329.96996
8275.0000 -96.38756 -94.81904 1.56852 1.74941 -94.93118 359.54536
8280.0000 -96.34531 -94.44827 1.89703 1.78096 -94.56834 381.60867
8285.0000 -96.02519 -94.32227 1.70292 1.78912 -94.47460 361.95205
8290.0000 -96.00595 -94.45553 1.55042 1.80130 -94.33448 360.23337
8295.0000 -96.52464 -95.17838 1.34626 1.75894 -94.82168 339.19005
8300.0000 -96.44849 -94.56636 1.88214 1.76403 -94.76307 344.52162
8305.0000 -96.80114 -95.14700 1.65414 1.74380 -94.99579 325.93251
8310.0000 -96.40319 -94.71964 1.68356 1.73329 -95.11662 322.21670
8315.0000 -96.44452 -94.93397 1.51055 1.76722 -94.72640 348.12462
8320.0000 -96.85682 -95.25670 1.60012 1.74623 -94.96786 327.89621
8325.0000 -96.43643 -94.83695 1.59947 1.71654 -95.30922 297.97193
8330.0000 -96.01352 -94.35410 1.65942 1.77332 -94.65627 337.18880
8335.0000 -96.79636 -95.19649 1.59987 1.74955 -94.92966 330.39696
8340.0000 -96.58212 -94.87537 1.70675 1.72045 -95.26433 297.22317
8345.0000 -96.55760 -94.93878 1.61883 1.75406 -94.87780 337.91421
8350.0000 -96.54741 -94.61433 1.93308 1.76600 -94.74049 348.51136
8355.0000 -96.78494 -95.06561 1.71933 1.76040 -94.80480 334.02076
8360.0000 -96.74535 -94.83229 1.91306 1.74495 -94.98250 321.30216
8365.0000 -96.73122 -95.38705 1.34417 1.74032 -95.03573 315.28437
8370.0000 -96.60846 -94.94033 1.66813 1.72871 -95.16934 304.61150
8375.0000 -96.26370 -94.72912 1.53458 1.76087 -94.79946 339.57422
8380.0000 -96.24766 -94.63064 1.61702 1.76792 -94.71833 351.03518
8385.0000 -96.99150 -95.43605 1.55546 1.74029 -95.03611 321.34230
8390.0000 -96.81385 -95.28252 1.53134 1.70151 -95.48204 297.06564
8395.0000 -97.06172 -95.21041 1.85131 1.72071 -95.26132 323.69913
8400.0000 -96.60796 -95.09217 1.51579 1.72360 -95.22804 334.26162
8405.0000 -96.84910 -95.10787 1.74123 1.74278 -95.00742 337.82616
8410.0000 -96.71776 -95.04033 1.67742 1.76781 -94.71961 376.27862
8415.0000 -96.68094 -94.51115 2.16979 1.75737 -94.83974 361.52350
8420.0000 -96.60038 -94.93213 1.66825 1.77166 -94.67530 380.66507
8425.0000 -96.72033 -95.03073 1.68960 1.75363 -94.88275 365.21930
8430.0000 -96.89997 -95.43121 1.46876 1.72383 -95.22541 324.82711
8435.0000 -97.31075 -95.70250 1.60825 1.71899 -95.28110 330.54236
8440.0000 -97.16262 -95.14340 2.01922 1.70784 -95.40935 313.24829
8445.0000 -96.80598 -95.16540 1.64058 1.72585 -95.20223 333.80760
8450.0000 -97.02654 -95.42869 1.59785 1.70655 -95.42419 308.73087
8455.0000 -96.95784 -95.04738 1.91046 1.71625 -95.31260 327.49498
8460.0000 -96.62701 -95.02290 1.60411 1.73321 -95.11751 337.76728
8465.0000 -97.01168 -95.29997 1.71171 1.72720 -95.18662 335.30437
8470.0000 -97.25791 -95.35459 1.90331 1.70529 -95.43864 316.02015
8475.0000 -96.99376 -95.36858 1.62518 1.70761 -95.41194 317.21911
8480.0000 -96.65304 -95.35240 1.30064 1.71485 -95.32871 327.79501
8485.0000 -96.87945 -95.10943 1.77002 1.73777 -95.06507 351.54315
8490.0000 -96.86005 -95.20729 1.65276 1.71414 -95.33685 318.29190
8495.0000 -96.42902 -94.84134 1.58767 1.72366 -95.22740 330.64083
8500.0000 -97.34245 -96.16092 1.18153 1.71410 -95.33728 320.61220
FREEZING PROCESS: loop number 35 T-loop= 307.00000000000000
main_MD> interactions number 35 at Temperature= 307.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.27221 -0.65304 2.31711
force_rgl> df(natom) -0.17364 2.08809 0.90277
8505.0000 -97.04295 -95.65370 1.38924 1.66507 -95.90113 269.34033
8510.0000 -96.98361 -95.65080 1.33282 1.67066 -95.83687 273.33182
8515.0000 -97.20981 -95.66476 1.54506 1.67932 -95.73731 280.47071
8520.0000 -97.05449 -95.44060 1.61389 1.71421 -95.33606 321.27770
8525.0000 -97.39031 -95.83139 1.55892 1.71708 -95.30308 327.45248
8530.0000 -97.18848 -95.75741 1.43107 1.66898 -95.85620 282.38687
8535.0000 -96.94413 -95.60742 1.33671 1.70309 -95.46393 309.98400
8540.0000 -97.15809 -95.42727 1.73082 1.70210 -95.47528 302.13712
8545.0000 -96.91557 -95.43915 1.47642 1.69496 -95.55739 298.38142
8550.0000 -97.46906 -95.83591 1.63315 1.67929 -95.73769 287.11255
8555.0000 -97.27412 -95.42707 1.84705 1.69571 -95.54879 308.27459
8560.0000 -96.96117 -95.51720 1.44397 1.69251 -95.58555 300.23161
8565.0000 -97.28064 -95.72339 1.55725 1.69261 -95.58451 300.91945
8570.0000 -97.25956 -95.78068 1.47888 1.69377 -95.57111 297.55234
8575.0000 -96.77308 -95.27546 1.49763 1.70805 -95.40686 313.65585
8580.0000 -97.24754 -95.55522 1.69232 1.71187 -95.36293 310.80456
8585.0000 -96.32277 -95.15324 1.16953 1.70531 -95.43838 301.95476
8590.0000 -96.92950 -95.12611 1.80339 1.73848 -95.05695 332.52642
8595.0000 -96.99065 -95.73458 1.25607 1.68417 -95.68148 281.21004
8600.0000 -97.36877 -95.78350 1.58527 1.69855 -95.51611 306.09201
8605.0000 -96.88989 -95.60231 1.28758 1.66892 -95.85694 288.18304
8610.0000 -96.96911 -95.53780 1.43132 1.68576 -95.66320 302.73052
8615.0000 -96.89541 -95.41653 1.47889 1.71258 -95.35479 325.37553
8620.0000 -97.12224 -95.72314 1.39910 1.68623 -95.65786 303.54272
8625.0000 -97.11624 -95.78792 1.32831 1.68813 -95.63599 299.94154
8630.0000 -97.14906 -95.69041 1.45865 1.66601 -95.89040 282.61036
8635.0000 -97.60507 -95.92064 1.68443 1.68106 -95.71730 297.66812
8640.0000 -97.73068 -96.20574 1.52494 1.65645 -96.00036 274.78367
8645.0000 -97.15134 -96.05422 1.09713 1.65819 -95.98029 276.20298
8650.0000 -97.29559 -95.33634 1.95924 1.67468 -95.79063 289.96201
8655.0000 -96.52041 -94.99999 1.52043 1.73600 -95.08540 341.39607
8660.0000 -96.85327 -94.93337 1.91990 1.73590 -95.08656 350.44394
8665.0000 -97.24857 -95.43663 1.81194 1.73249 -95.12587 339.99331
8670.0000 -97.31129 -95.69710 1.61420 1.70346 -95.45971 313.29308
8675.0000 -97.50009 -96.10487 1.39522 1.68070 -95.72147 290.69484
8680.0000 -96.69941 -95.31423 1.38518 1.68046 -95.72419 286.68276
8685.0000 -97.24848 -96.00937 1.23911 1.69767 -95.52631 303.20651
8690.0000 -97.33695 -95.84646 1.49049 1.66394 -95.91412 262.39289
8695.0000 -97.29966 -96.14837 1.15128 1.66094 -95.94871 265.11680
8700.0000 -97.25156 -95.78507 1.46649 1.65503 -96.01666 258.04871
8705.0000 -97.19025 -95.57390 1.61635 1.67583 -95.77747 279.64591
8710.0000 -97.06598 -95.42272 1.64325 1.68952 -95.62002 293.77323
8715.0000 -96.93277 -95.37049 1.56228 1.71178 -95.36403 312.77682
8720.0000 -96.80704 -95.37931 1.42773 1.71874 -95.28400 325.47483
8725.0000 -96.72357 -95.18099 1.54257 1.74026 -95.03642 355.17185
8730.0000 -96.81193 -95.31523 1.49670 1.72597 -95.20078 337.56916
8735.0000 -96.99202 -95.38491 1.60711 1.70867 -95.39974 318.14151
8740.0000 -97.14467 -95.59871 1.54596 1.69206 -95.59079 302.55019
8745.0000 -96.92276 -95.58593 1.33683 1.69969 -95.50307 309.09030
8750.0000 -97.35238 -95.54452 1.80786 1.69870 -95.51442 311.99901
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 48.7704303 [s].
main_MD> Deallocating global variables
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