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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_37/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_37.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 = 37 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1900
main_MD> Size of nv and nvoiz: 37 3700
main_MD> Size of nv and nvoiz: 37 3700
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 = 37
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> -1.2723270979576744E-002 -0.16127018191386913 -0.12759914728660229 initial drift of cluster / NP1 for coalescence
init> 0.37860757260492850 0.34422450378794339 0.31854477444449664 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8004773519122246E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.33535 2.22787 -0.69816
force_rgl> df(natom) -0.62249 -2.40986 1.93980
preparo> THERMALIZATION PROCESS AT 1261.0118463951833
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -76.434754703521037 6.2440295355973578 -82.678784239118400 6.4749330206119655E-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 38
FREEZING PROCESS: loop number 1 T-loop= 1228.0000000000000
main_MD> interactions number 1 at Temperature= 1228.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.77740 -1.31169 -3.75671
force_rgl> df(natom) 0.71912 0.11037 0.46250
5.0000 -84.20101 -78.36366 5.83735 2.83926 -77.62365 1269.07394
10.0000 -84.88861 -79.18843 5.70019 2.79833 -78.07823 1204.45663
15.0000 -84.86311 -78.48597 6.37714 2.82247 -77.81013 1273.55344
20.0000 -82.43048 -76.68349 5.74699 2.84748 -77.53248 1229.95853
25.0000 -83.65218 -78.20894 5.44324 2.86197 -77.37156 1323.19544
30.0000 -83.75469 -79.69621 4.05847 2.69545 -79.22053 1165.16827
35.0000 -83.80580 -78.54156 5.26424 2.73672 -78.76230 1234.21770
40.0000 -83.21093 -78.09683 5.11410 2.77522 -78.33483 1187.40878
45.0000 -83.68738 -77.36625 6.32112 2.82845 -77.74375 1273.55273
50.0000 -84.03970 -77.65153 6.38818 2.83010 -77.72536 1247.79260
55.0000 -85.15707 -80.65364 4.50344 2.77224 -78.36790 1226.13059
60.0000 -82.83105 -79.17097 3.66008 2.62256 -80.02984 1070.00769
65.0000 -85.88386 -79.49328 6.39059 2.75775 -78.52880 1255.72851
70.0000 -82.88339 -77.26596 5.61742 2.79479 -78.11750 1271.27114
75.0000 -82.87401 -76.34887 6.52514 2.93359 -76.57629 1383.44613
80.0000 -84.20756 -78.66773 5.53983 2.80835 -77.96694 1224.83361
85.0000 -83.87334 -77.73467 6.13867 2.77692 -78.31592 1189.91643
90.0000 -85.77691 -80.05397 5.72294 2.71850 -78.96460 1157.51443
95.0000 -84.06012 -79.01037 5.04975 2.61722 -80.08918 1050.49559
100.0000 -85.75068 -79.50821 6.24248 2.70574 -79.10627 1118.51479
105.0000 -84.00349 -77.62994 6.37355 2.76194 -78.48226 1201.82245
110.0000 -84.39856 -78.30292 6.09564 2.76451 -78.45367 1228.13821
115.0000 -85.06712 -79.33986 5.72726 2.76682 -78.42808 1240.39572
120.0000 -83.82623 -76.87393 6.95230 2.80971 -77.95187 1231.25148
125.0000 -84.62048 -78.51333 6.10715 2.86254 -77.36521 1282.51694
130.0000 -84.26701 -79.46322 4.80379 2.70398 -79.12579 1127.90180
135.0000 -83.52013 -77.43925 6.08088 2.65953 -79.61933 1109.28427
140.0000 -81.06868 -75.47536 5.59333 2.88621 -77.10240 1300.17025
145.0000 -83.84304 -78.91997 4.92307 2.86719 -77.31363 1316.47956
150.0000 -82.87209 -77.28187 5.59022 2.85363 -77.46412 1259.55891
155.0000 -84.33890 -78.13341 6.20549 2.82901 -77.73750 1257.17697
160.0000 -84.27036 -79.89723 4.37313 2.64791 -79.74839 1069.29745
165.0000 -83.55604 -77.95442 5.60162 2.70630 -79.10005 1137.98337
170.0000 -84.26152 -77.64863 6.61289 2.77894 -78.29342 1187.04107
175.0000 -84.08149 -77.46268 6.61881 2.84103 -77.60401 1242.07314
180.0000 -82.39589 -76.75608 5.63980 2.80115 -78.04688 1217.68963
185.0000 -84.33776 -77.77862 6.55914 2.92129 -76.71291 1314.87290
190.0000 -83.11556 -77.41530 5.70026 2.83918 -77.62460 1232.71165
195.0000 -82.92794 -77.60411 5.32383 2.88044 -77.16640 1261.55754
200.0000 -84.21830 -77.25769 6.96061 2.89853 -76.96562 1327.85163
205.0000 -84.39053 -77.34252 7.04801 2.81258 -77.91998 1238.17759
210.0000 -84.26108 -79.14405 5.11703 2.87980 -77.17353 1292.39341
215.0000 -84.80553 -78.29615 6.50939 2.72973 -78.83988 1204.17542
220.0000 -83.90220 -77.92041 5.98179 2.78396 -78.23772 1193.91065
225.0000 -82.89362 -76.81744 6.07618 2.89834 -76.96772 1384.94529
230.0000 -83.59265 -77.65645 5.93620 2.93108 -76.60420 1359.82993
235.0000 -83.41242 -76.86993 6.54249 2.86821 -77.30226 1306.37163
240.0000 -82.85149 -77.98514 4.86636 2.76990 -78.39381 1146.97325
245.0000 -84.35120 -78.64296 5.70824 2.77155 -78.37551 1159.12933
250.0000 -84.24586 -79.43228 4.81357 2.67977 -79.39466 1200.77464
FREEZING PROCESS: loop number 2 T-loop= 1203.0000000000000
main_MD> interactions number 2 at Temperature= 1203.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.97277 -1.80817 -0.38762
force_rgl> df(natom) -2.44969 4.76668 -0.91084
255.0000 -82.85726 -76.96441 5.89285 2.84967 -77.50809 1257.62190
260.0000 -84.98300 -79.60717 5.37582 2.77495 -78.33777 1201.61573
265.0000 -84.70564 -77.98935 6.71629 2.75186 -78.59420 1195.18846
270.0000 -84.45256 -78.17638 6.27617 2.77727 -78.31205 1167.62108
275.0000 -84.17132 -79.13639 5.03493 2.74130 -78.71146 1140.95096
280.0000 -83.83985 -77.61915 6.22071 2.81224 -77.92367 1230.44544
285.0000 -84.39095 -78.64309 5.74786 2.81018 -77.94655 1222.82952
290.0000 -85.43097 -80.21592 5.21506 2.68684 -79.31612 1122.05596
295.0000 -85.85094 -80.06936 5.78157 2.56697 -80.64710 1031.24598
300.0000 -85.92746 -80.71836 5.20910 2.62118 -80.04523 1092.91778
305.0000 -86.31744 -80.62598 5.69146 2.61682 -80.09364 1129.25233
310.0000 -84.21362 -79.14240 5.07121 2.67366 -79.46247 1163.40266
315.0000 -85.11771 -79.22352 5.89418 2.68509 -79.33561 1116.82765
320.0000 -84.02160 -78.54542 5.47618 2.73230 -78.81132 1196.71605
325.0000 -84.58068 -77.66108 6.91959 2.69513 -79.22411 1176.09480
330.0000 -81.63206 -75.89002 5.74205 2.82450 -77.78755 1295.39276
335.0000 -83.36968 -77.26316 6.10652 2.98576 -75.99699 1375.50268
340.0000 -85.40335 -79.54407 5.85927 2.74891 -78.62691 1220.05601
345.0000 -85.07816 -79.85428 5.22388 2.66683 -79.53827 1070.30080
350.0000 -83.89480 -78.79940 5.09540 2.73443 -78.78768 1212.73018
355.0000 -82.39618 -76.30848 6.08770 2.82441 -77.78863 1229.16621
360.0000 -82.77094 -77.41111 5.35984 2.96630 -76.21304 1334.31207
365.0000 -84.98892 -78.04641 6.94251 2.82401 -77.79307 1264.82935
370.0000 -83.31687 -76.56802 6.74885 2.84863 -77.51967 1315.73347
375.0000 -83.15214 -78.15488 4.99726 2.87959 -77.17589 1318.03918
380.0000 -82.59226 -77.74439 4.84787 2.89746 -76.97741 1288.46140
385.0000 -83.29575 -78.10448 5.19127 2.82999 -77.72667 1219.17387
390.0000 -84.82304 -78.29693 6.52611 2.71037 -79.05489 1160.52731
395.0000 -84.09872 -78.64175 5.45697 2.80558 -77.99768 1246.13821
400.0000 -83.68780 -78.43415 5.25365 2.71633 -78.98863 1126.62673
405.0000 -84.83438 -78.63858 6.19580 2.80556 -77.99794 1242.35908
410.0000 -85.26311 -79.91239 5.35072 2.76878 -78.40632 1251.41738
415.0000 -83.81804 -78.34343 5.47461 2.70289 -79.13794 1146.62368
420.0000 -85.59419 -79.90635 5.68783 2.73866 -78.74069 1199.63661
425.0000 -83.93036 -78.23941 5.69095 2.67266 -79.47361 1097.97563
430.0000 -83.91215 -79.05377 4.85838 2.68288 -79.36008 1082.84934
435.0000 -84.68353 -78.65955 6.02397 2.78217 -78.25766 1238.80827
440.0000 -82.62509 -77.50372 5.12137 2.79956 -78.06453 1207.84787
445.0000 -83.20458 -76.14511 7.05947 2.91598 -76.77179 1319.68218
450.0000 -83.41537 -77.01419 6.40118 2.86450 -77.34340 1327.17683
455.0000 -84.23003 -78.56498 5.66505 2.83114 -77.71381 1259.54689
460.0000 -84.37344 -77.34954 7.02391 2.75896 -78.51532 1200.06812
465.0000 -84.49130 -79.08679 5.40451 2.78936 -78.17775 1219.98918
470.0000 -84.67498 -80.07148 4.60350 2.69214 -79.25724 1125.95823
475.0000 -85.74923 -80.72725 5.02198 2.60752 -80.19692 1065.45107
480.0000 -83.60367 -76.90366 6.70001 2.68597 -79.32575 1122.98138
485.0000 -84.46220 -78.83669 5.62551 2.79579 -78.10633 1189.34898
490.0000 -86.05458 -81.50962 4.54496 2.61582 -80.10467 1058.32872
495.0000 -84.62861 -77.90698 6.72163 2.68186 -79.37142 1185.95553
500.0000 -83.15405 -78.03495 5.11910 2.74035 -78.72195 1176.59912
FREEZING PROCESS: loop number 3 T-loop= 1178.0000000000000
main_MD> interactions number 3 at Temperature= 1178.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.34698 0.87261 3.44990
force_rgl> df(natom) 0.62593 0.23265 -0.84544
505.0000 -84.21756 -78.64738 5.57017 2.84215 -77.59166 1217.50018
510.0000 -85.75434 -80.11014 5.64420 2.71628 -78.98928 1163.20268
515.0000 -84.92987 -80.11776 4.81211 2.63569 -79.88410 1124.47848
520.0000 -84.94654 -78.72728 6.21926 2.66392 -79.57057 1113.67628
525.0000 -84.52265 -78.09951 6.42315 2.74006 -78.72517 1176.98661
530.0000 -84.53191 -78.72307 5.80884 2.80456 -78.00896 1271.70376
535.0000 -83.45509 -79.29286 4.16223 2.65374 -79.68366 1131.73662
540.0000 -84.25081 -78.06760 6.18321 2.78973 -78.17363 1233.08349
545.0000 -84.36914 -79.71370 4.65544 2.66531 -79.55519 1159.33611
550.0000 -84.10478 -78.27486 5.82992 2.69162 -79.26306 1098.25083
555.0000 -83.56950 -76.75141 6.81810 2.80702 -77.98169 1204.27048
560.0000 -85.66431 -79.23147 6.43284 2.83001 -77.72637 1269.03621
565.0000 -85.10592 -79.50843 5.59750 2.72188 -78.92706 1164.82286
570.0000 -83.06109 -77.15634 5.90474 2.76645 -78.43216 1212.51293
575.0000 -86.20806 -80.74438 5.46368 2.79456 -78.12000 1243.94050
580.0000 -84.68019 -79.01285 5.66734 2.65200 -79.70300 1079.82508
585.0000 -85.37937 -79.18623 6.19313 2.78956 -78.17556 1195.42777
590.0000 -84.32406 -78.93869 5.38538 2.71252 -79.03095 1157.49758
595.0000 -85.62116 -80.34748 5.27368 2.68806 -79.30260 1082.86439
600.0000 -83.22775 -78.93143 4.29633 2.78843 -78.18808 1242.46209
605.0000 -84.29273 -79.18521 5.10752 2.74019 -78.72377 1127.71313
610.0000 -84.30737 -77.73460 6.57277 2.66774 -79.52823 1127.96288
615.0000 -84.27898 -76.98566 7.29332 2.90515 -76.89203 1305.97469
620.0000 -84.63815 -78.82753 5.81062 2.82384 -77.79495 1248.59464
625.0000 -84.65711 -79.22082 5.43630 2.78268 -78.25190 1233.61418
630.0000 -85.09682 -81.10166 3.99516 2.52826 -81.07697 1045.40943
635.0000 -85.06738 -79.41533 5.65205 2.59805 -80.30207 1082.25688
640.0000 -84.89968 -77.76894 7.13074 2.71620 -78.99008 1160.84881
645.0000 -83.79081 -78.93272 4.85809 2.78230 -78.25617 1254.29485
650.0000 -83.89530 -79.07716 4.81814 2.82259 -77.80880 1237.92937
655.0000 -83.79852 -78.74567 5.05285 2.77721 -78.31271 1213.55983
660.0000 -83.32012 -77.18842 6.13170 2.82581 -77.77306 1278.68512
665.0000 -82.54257 -75.98078 6.56179 2.96843 -76.18944 1407.40619
670.0000 -83.08079 -77.18216 5.89863 2.92854 -76.63231 1318.86889
675.0000 -83.93439 -78.56558 5.36881 2.88097 -77.16061 1325.69805
680.0000 -83.27537 -77.45636 5.81902 2.83194 -77.70502 1224.71890
685.0000 -85.11478 -79.91730 5.19748 2.80578 -77.99550 1213.02935
690.0000 -85.13641 -79.73437 5.40204 2.67656 -79.43028 1158.85541
695.0000 -85.82595 -79.88270 5.94325 2.68115 -79.37926 1179.20282
700.0000 -84.76377 -78.19545 6.56832 2.72295 -78.91517 1222.47870
705.0000 -85.23328 -79.22783 6.00546 2.71523 -79.00089 1190.40572
710.0000 -84.84089 -80.44289 4.39801 2.62942 -79.95365 1079.71679
715.0000 -83.32082 -78.17386 5.14696 2.74393 -78.68220 1218.92151
720.0000 -84.60283 -79.00793 5.59490 2.71726 -78.97836 1136.37766
725.0000 -83.91775 -75.72792 8.18984 2.81134 -77.93373 1263.39771
730.0000 -82.68842 -76.34753 6.34089 2.94790 -76.41736 1317.83691
735.0000 -83.14660 -77.10118 6.04541 2.87286 -77.25061 1275.47243
740.0000 -84.72575 -79.23821 5.48754 2.77062 -78.38591 1245.30015
745.0000 -84.24368 -78.84253 5.40115 2.73636 -78.76628 1207.93042
750.0000 -83.31757 -77.77865 5.53891 2.74184 -78.70537 1183.53334
FREEZING PROCESS: loop number 4 T-loop= 1153.0000000000000
main_MD> interactions number 4 at Temperature= 1153.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.65041 1.61898 -0.07972
force_rgl> df(natom) 0.53712 0.30451 1.14100
755.0000 -84.50642 -80.08053 4.42589 2.76584 -78.43889 1222.90333
760.0000 -84.89564 -78.70053 6.19511 2.74121 -78.71247 1178.66223
765.0000 -86.19341 -79.46273 6.73068 2.76139 -78.48839 1254.78281
770.0000 -84.48900 -78.89505 5.59395 2.73981 -78.72795 1234.45402
775.0000 -84.72746 -78.64156 6.08590 2.74336 -78.68855 1191.95770
780.0000 -84.80487 -78.52917 6.27570 2.74093 -78.71554 1180.73720
785.0000 -84.98325 -77.03558 7.94768 2.78751 -78.19829 1257.38448
790.0000 -84.68155 -79.72646 4.95510 2.77876 -78.29549 1233.74674
795.0000 -84.62764 -78.59133 6.03630 2.71523 -79.00091 1140.44755
800.0000 -83.53266 -77.76170 5.77095 2.77307 -78.35869 1219.49186
805.0000 -86.61402 -80.17417 6.43985 2.64616 -79.76780 1205.71254
810.0000 -83.47967 -78.10309 5.37658 2.74791 -78.63798 1202.04084
815.0000 -84.05313 -78.96118 5.09195 2.72580 -78.88351 1148.01025
820.0000 -85.09328 -79.94330 5.14999 2.70944 -79.06513 1179.86156
825.0000 -84.86187 -79.28586 5.57602 2.62259 -80.02951 1086.25975
830.0000 -83.44892 -77.09555 6.35337 2.81882 -77.85068 1187.21177
835.0000 -84.47568 -79.84115 4.63453 2.79927 -78.06778 1227.39878
840.0000 -83.57894 -78.63583 4.94310 2.68765 -79.30716 1112.25344
845.0000 -86.53134 -80.51201 6.01932 2.67214 -79.47934 1114.39632
850.0000 -85.53530 -80.19035 5.34495 2.59336 -80.35407 1056.57542
855.0000 -83.69719 -78.50019 5.19700 2.70699 -79.09238 1081.99005
860.0000 -83.21908 -76.74481 6.47427 2.79251 -78.14277 1218.50157
865.0000 -84.99503 -78.58100 6.41403 2.88847 -77.07728 1287.71322
870.0000 -84.98971 -80.05417 4.93554 2.65020 -79.72300 1083.45357
875.0000 -85.24461 -78.81479 6.42982 2.67345 -79.46475 1139.28952
880.0000 -84.77827 -79.15754 5.62073 2.64391 -79.79287 1108.94082
885.0000 -84.27693 -79.06846 5.20847 2.70649 -79.09793 1126.73090
890.0000 -85.78307 -80.38559 5.39748 2.63722 -79.86705 1100.36722
895.0000 -85.08311 -80.30985 4.77325 2.56784 -80.63742 1060.14891
900.0000 -86.15049 -81.55647 4.59402 2.59422 -80.34450 1088.36124
905.0000 -84.37698 -77.97052 6.40646 2.66941 -79.50967 1151.30104
910.0000 -85.59030 -79.18011 6.41018 2.73022 -78.83442 1165.49716
915.0000 -84.22413 -77.33736 6.88677 2.82174 -77.81828 1257.96483
920.0000 -85.21494 -80.01584 5.19910 2.85279 -77.47343 1271.82915
925.0000 -85.32848 -79.78131 5.54718 2.70402 -79.12534 1175.32573
930.0000 -86.27201 -80.90708 5.36493 2.59327 -80.35506 1011.80920
935.0000 -86.07241 -80.86686 5.20554 2.55822 -80.74432 1003.86341
940.0000 -85.33829 -80.24432 5.09397 2.55095 -80.82496 1019.32756
945.0000 -85.72441 -81.44835 4.27606 2.59470 -80.33921 1032.61402
950.0000 -84.40519 -79.19668 5.20850 2.56944 -80.61972 1042.87761
955.0000 -84.24611 -79.08575 5.16036 2.68687 -79.31581 1155.92456
960.0000 -84.24631 -78.48218 5.76413 2.70779 -79.08347 1168.48991
965.0000 -83.13076 -77.66790 5.46286 2.73879 -78.73928 1187.13021
970.0000 -85.63788 -79.51933 6.11856 2.67812 -79.41291 1102.58511
975.0000 -86.22845 -80.49673 5.73172 2.56869 -80.62807 1091.95847
980.0000 -84.52800 -78.79929 5.72870 2.60489 -80.22606 1072.72115
985.0000 -84.57496 -78.29542 6.27954 2.79192 -78.14940 1216.01706
990.0000 -84.50790 -79.48553 5.02237 2.78740 -78.19950 1241.77270
995.0000 -84.29602 -79.37864 4.91738 2.63207 -79.92433 1108.12975
1000.0000 -84.82958 -79.63728 5.19230 2.65226 -79.70013 1090.81960
FREEZING PROCESS: loop number 5 T-loop= 1128.0000000000000
main_MD> interactions number 5 at Temperature= 1128.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.05457 1.18335 -0.10444
force_rgl> df(natom) 0.54919 -3.40200 -1.16621
1005.0000 -84.31071 -79.32128 4.98943 2.66793 -79.52614 1110.21172
1010.0000 -85.48653 -80.19964 5.28689 2.52583 -81.10391 1032.23297
1015.0000 -83.81178 -78.08402 5.72776 2.72671 -78.87337 1144.85607
1020.0000 -83.26197 -76.79974 6.46222 2.81311 -77.91407 1196.09522
1025.0000 -84.76929 -79.31612 5.45317 2.70336 -79.13273 1156.12411
1030.0000 -84.76019 -79.77879 4.98140 2.66543 -79.55383 1119.13983
1035.0000 -84.13812 -78.71656 5.42157 2.78206 -78.25887 1245.29709
1040.0000 -86.69145 -81.87410 4.81735 2.64962 -79.72942 1046.23660
1045.0000 -85.79751 -80.88279 4.91471 2.46703 -81.75683 950.35169
1050.0000 -85.50328 -80.67436 4.82892 2.61798 -80.08074 1098.44049
1055.0000 -85.10708 -80.30618 4.80090 2.62383 -80.01572 1067.65823
1060.0000 -85.36869 -81.56082 3.80787 2.56604 -80.65745 1001.08880
1065.0000 -85.81725 -79.45032 6.36693 2.56980 -80.61567 1005.22956
1070.0000 -84.64505 -78.92427 5.72079 2.65820 -79.63415 1077.84150
1075.0000 -84.87686 -78.25353 6.62333 2.74518 -78.66829 1181.51150
1080.0000 -84.52775 -80.40326 4.12449 2.68257 -79.36358 1140.22770
1085.0000 -85.28378 -79.70441 5.57937 2.58852 -80.40787 1026.27439
1090.0000 -83.63840 -77.78090 5.85750 2.75545 -78.55428 1202.50208
1095.0000 -83.81291 -78.81176 5.00115 2.75344 -78.57667 1188.51775
1100.0000 -84.31902 -77.77301 6.54601 2.76550 -78.44268 1144.39092
1105.0000 -85.58986 -79.03837 6.55149 2.77759 -78.30849 1220.44962
1110.0000 -84.89770 -79.67200 5.22570 2.63084 -79.93793 1094.44167
1115.0000 -85.18239 -77.97290 7.20949 2.71377 -79.01709 1189.45727
1120.0000 -84.44818 -78.17032 6.27786 2.81141 -77.93293 1231.88830
1125.0000 -84.95415 -80.09780 4.85634 2.71808 -78.96921 1166.44570
1130.0000 -85.64714 -80.56722 5.07992 2.60829 -80.18833 1084.03743
1135.0000 -86.47926 -80.94831 5.53095 2.52621 -81.09973 964.34956
1140.0000 -85.59385 -80.52995 5.06390 2.52695 -81.09145 1010.78427
1145.0000 -86.52613 -81.79453 4.73160 2.48657 -81.53988 959.55156
1150.0000 -86.56056 -82.48908 4.07148 2.42027 -82.27603 979.61049
1155.0000 -84.97695 -79.74478 5.23217 2.52708 -81.09001 1042.96261
1160.0000 -83.51316 -78.89921 4.61396 2.71896 -78.95943 1150.02111
1165.0000 -85.23229 -81.20141 4.03088 2.65631 -79.65517 1080.16122
1170.0000 -86.67096 -81.50284 5.16812 2.46259 -81.80610 919.90531
1175.0000 -84.49171 -78.78360 5.70812 2.60843 -80.18681 1047.25604
1180.0000 -83.43537 -78.90027 4.53509 2.64744 -79.75359 1119.73800
1185.0000 -85.90064 -79.43460 6.46604 2.66990 -79.50418 1139.18353
1190.0000 -83.45672 -78.11787 5.33885 2.77347 -78.35417 1222.38797
1195.0000 -84.81491 -78.64491 6.17000 2.73499 -78.78153 1170.99436
1200.0000 -85.82139 -81.71359 4.10780 2.62238 -80.03186 1076.75353
1205.0000 -83.98382 -78.46880 5.51502 2.61310 -80.13489 1013.61486
1210.0000 -84.81503 -80.00654 4.80849 2.69017 -79.27918 1133.66006
1215.0000 -85.86097 -79.47393 6.38704 2.65634 -79.65476 1126.37451
1220.0000 -85.04694 -80.36104 4.68591 2.63696 -79.86994 1138.45608
1225.0000 -84.21029 -78.90635 5.30394 2.66621 -79.54524 1092.72207
1230.0000 -84.39577 -79.22974 5.16603 2.72965 -78.84079 1191.41297
1235.0000 -85.06120 -79.24142 5.81979 2.67398 -79.45889 1162.72231
1240.0000 -86.22223 -80.33289 5.88934 2.60688 -80.20393 1059.30645
1245.0000 -84.80529 -79.79721 5.00808 2.56954 -80.61856 1063.55074
1250.0000 -83.34120 -76.91387 6.42734 2.77144 -78.37672 1219.47599
FREEZING PROCESS: loop number 6 T-loop= 1103.0000000000000
main_MD> interactions number 6 at Temperature= 1103.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.38206 1.21588 1.30213
force_rgl> df(natom) 1.62689 -0.13337 -2.18884
1255.0000 -85.08198 -79.44699 5.63499 2.84657 -77.54249 1283.53383
1260.0000 -84.44866 -77.55792 6.89074 2.78046 -78.27661 1197.84764
1265.0000 -83.37374 -78.72319 4.65056 2.76844 -78.41007 1216.07112
1270.0000 -83.06078 -78.63493 4.42585 2.73866 -78.74074 1174.99811
1275.0000 -84.63514 -77.87213 6.76301 2.75903 -78.51451 1202.06479
1280.0000 -85.39765 -80.02531 5.37234 2.74417 -78.67954 1189.91142
1285.0000 -86.27411 -80.27264 6.00147 2.57973 -80.50550 1105.68711
1290.0000 -86.17093 -80.51229 5.65864 2.64338 -79.79868 1156.11282
1295.0000 -85.62356 -80.41991 5.20365 2.56381 -80.68225 1089.87435
1300.0000 -84.65419 -79.18451 5.46968 2.68191 -79.37083 1133.34941
1305.0000 -85.46448 -80.31635 5.14814 2.58083 -80.49327 1059.04547
1310.0000 -85.69796 -81.29323 4.40473 2.56432 -80.67652 1024.91795
1315.0000 -86.50933 -80.93821 5.57111 2.57062 -80.60661 1077.83963
1320.0000 -85.64203 -80.29532 5.34671 2.51485 -81.22589 989.27431
1325.0000 -86.40917 -81.78391 4.62525 2.58345 -80.46417 1068.50679
1330.0000 -85.57694 -81.05799 4.51894 2.53829 -80.96557 990.84632
1335.0000 -86.99517 -82.91846 4.07671 2.47536 -81.66434 1002.84087
1340.0000 -84.87697 -80.67282 4.20415 2.49372 -81.46051 987.98100
1345.0000 -85.09247 -80.54159 4.55088 2.56710 -80.64564 1029.97448
1350.0000 -84.43662 -80.43138 4.00525 2.57992 -80.50329 1038.75119
1355.0000 -84.43164 -77.68458 6.74706 2.73259 -78.80818 1179.52910
1360.0000 -85.49123 -78.85857 6.63267 2.77696 -78.31542 1208.72343
1365.0000 -84.68542 -79.37704 5.30838 2.64894 -79.73699 1100.21122
1370.0000 -82.43719 -77.59361 4.84359 2.76983 -78.39460 1205.07213
1375.0000 -84.49900 -78.02358 6.47543 2.75706 -78.53637 1208.45404
1380.0000 -85.71977 -77.83133 7.88844 2.82054 -77.83160 1248.51191
1385.0000 -85.56021 -80.47528 5.08493 2.65662 -79.65167 1127.94994
1390.0000 -85.21200 -79.50298 5.70902 2.61149 -80.15279 1076.73242
1395.0000 -83.47190 -77.62056 5.85134 2.75482 -78.56130 1185.16202
1400.0000 -84.70135 -79.10480 5.59655 2.74368 -78.68502 1171.83668
1405.0000 -85.55252 -79.09039 6.46213 2.73121 -78.82350 1194.05101
1410.0000 -83.02273 -77.85058 5.17214 2.75548 -78.55402 1208.63306
1415.0000 -85.37552 -79.73900 5.63653 2.75604 -78.54775 1118.38069
1420.0000 -85.18018 -79.87776 5.30242 2.66380 -79.57194 1119.14961
1425.0000 -83.56181 -78.46914 5.09267 2.67164 -79.48490 1140.55780
1430.0000 -83.62836 -78.00659 5.62177 2.78191 -78.26045 1213.29397
1435.0000 -85.99934 -81.97634 4.02300 2.62085 -80.04890 1047.16159
1440.0000 -86.15693 -81.08515 5.07179 2.52669 -81.09439 1024.36276
1445.0000 -87.04766 -81.86651 5.18115 2.46225 -81.80987 967.94122
1450.0000 -84.95011 -79.54417 5.40594 2.55361 -80.79545 1037.85889
1455.0000 -85.70016 -80.25661 5.44355 2.59073 -80.38332 1089.84464
1460.0000 -85.73582 -81.19081 4.54500 2.49967 -81.39444 974.57135
1465.0000 -86.83615 -81.31546 5.52069 2.55560 -80.77340 990.88549
1470.0000 -85.39630 -80.22611 5.17019 2.62080 -80.04945 1093.79681
1475.0000 -84.25102 -79.86093 4.39009 2.61156 -80.15206 1062.04982
1480.0000 -84.41880 -79.09693 5.32188 2.61242 -80.14245 1052.45718
1485.0000 -83.09638 -77.88051 5.21587 2.79951 -78.06512 1204.29914
1490.0000 -85.56809 -80.55696 5.01113 2.75224 -78.58992 1202.78646
1495.0000 -86.81858 -81.28545 5.53312 2.55630 -80.76565 1062.24680
1500.0000 -86.10616 -80.74036 5.36580 2.53319 -81.02216 1009.39353
FREEZING PROCESS: loop number 7 T-loop= 1078.0000000000000
main_MD> interactions number 7 at Temperature= 1078.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.80022 0.29956 -1.35019
force_rgl> df(natom) 2.35869 -1.47889 -0.36829
1505.0000 -84.47628 -80.17200 4.30428 2.58613 -80.43435 1024.22163
1510.0000 -85.42332 -80.44900 4.97432 2.62259 -80.02954 1039.23883
1515.0000 -83.38338 -78.42332 4.96006 2.66686 -79.53798 1123.41531
1520.0000 -82.99224 -77.53294 5.45930 2.91233 -76.81235 1253.72139
1525.0000 -84.57240 -79.12798 5.44442 2.69587 -79.21585 1149.64410
1530.0000 -84.53671 -78.60116 5.93555 2.67388 -79.46004 1203.33495
1535.0000 -84.75291 -80.35026 4.40264 2.66331 -79.57736 1203.13430
1540.0000 -85.92983 -80.80029 5.12954 2.56084 -80.71516 1051.32036
1545.0000 -84.69186 -79.46708 5.22478 2.62749 -79.97515 1117.11254
1550.0000 -84.25139 -79.05196 5.19943 2.71059 -79.05247 1133.13226
1555.0000 -85.24753 -79.61502 5.63251 2.68075 -79.38380 1157.49273
1560.0000 -85.51573 -78.68451 6.83122 2.73294 -78.80424 1196.69576
1565.0000 -85.65347 -80.49792 5.15555 2.64618 -79.76760 1064.41630
1570.0000 -85.99574 -80.57812 5.41762 2.56981 -80.61561 1079.64877
1575.0000 -84.57950 -79.21249 5.36701 2.60888 -80.18178 1101.18223
1580.0000 -84.74279 -80.15266 4.59013 2.64591 -79.77057 1094.62663
1585.0000 -86.13322 -81.04349 5.08974 2.58492 -80.44786 1038.19156
1590.0000 -85.42079 -81.98391 3.43688 2.51337 -81.24225 996.08967
1595.0000 -84.98497 -78.50995 6.47502 2.63958 -79.84086 1085.87285
1600.0000 -83.82623 -79.25234 4.57389 2.68140 -79.37655 1084.34025
1605.0000 -85.89263 -81.02908 4.86355 2.60851 -80.18590 1049.69148
1610.0000 -86.92335 -80.72918 6.19417 2.53489 -81.00333 1003.63062
1615.0000 -85.06009 -79.50699 5.55309 2.64503 -79.78037 1091.93658
1620.0000 -86.44651 -81.13088 5.31563 2.60056 -80.27417 1074.91154
1625.0000 -87.38569 -82.47968 4.90601 2.45821 -81.85480 990.96821
1630.0000 -84.89619 -79.81887 5.07732 2.49868 -81.40539 1006.48283
1635.0000 -84.73211 -79.35817 5.37394 2.65939 -79.62087 1124.67760
1640.0000 -84.86139 -80.05341 4.80798 2.71169 -79.04023 1157.63637
1645.0000 -84.83523 -80.01617 4.81906 2.65167 -79.70660 1153.44482
1650.0000 -84.59446 -80.05271 4.54175 2.59430 -80.34365 1051.51224
1655.0000 -83.97272 -79.59316 4.37955 2.62099 -80.04725 1101.80566
1660.0000 -85.56189 -81.68106 3.88083 2.56211 -80.70114 1072.42105
1665.0000 -87.04673 -82.43785 4.60888 2.45450 -81.89600 974.66779
1670.0000 -85.26236 -79.77736 5.48500 2.59012 -80.39003 1063.65950
1675.0000 -85.94023 -79.60485 6.33539 2.66306 -79.58015 1149.93917
1680.0000 -84.28218 -77.42448 6.85771 2.76804 -78.41455 1240.01281
1685.0000 -85.29427 -79.74193 5.55234 2.70075 -79.16164 1154.27284
1690.0000 -83.61125 -78.59659 5.01465 2.73359 -78.79707 1246.08532
1695.0000 -85.39095 -79.34578 6.04518 2.71172 -79.03982 1156.43632
1700.0000 -85.53813 -80.02820 5.50993 2.60906 -80.17980 1113.39759
1705.0000 -83.86866 -78.56221 5.30645 2.68358 -79.35236 1098.15100
1710.0000 -85.38682 -80.15593 5.23089 2.64477 -79.78327 1080.04766
1715.0000 -86.47083 -81.35288 5.11794 2.55768 -80.75032 1059.71046
1720.0000 -86.97730 -82.59883 4.37846 2.45417 -81.89963 980.03911
1725.0000 -86.94942 -82.48530 4.46412 2.38628 -82.65343 896.69659
1730.0000 -84.72472 -81.12490 3.59983 2.48193 -81.59137 970.36132
1735.0000 -86.23129 -81.47222 4.75907 2.52848 -81.07453 1016.63805
1740.0000 -84.65800 -80.76181 3.89620 2.55948 -80.73028 1045.11422
1745.0000 -87.19509 -82.37292 4.82217 2.51737 -81.19782 1033.42598
1750.0000 -87.32524 -82.01604 5.30920 2.47444 -81.67455 965.01894
FREEZING PROCESS: loop number 8 T-loop= 1053.0000000000000
main_MD> interactions number 8 at Temperature= 1053.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.36556 -0.27529 1.17622
force_rgl> df(natom) -3.79518 1.23153 2.58167
1755.0000 -86.94208 -82.65063 4.29145 2.37706 -82.75586 881.43947
1760.0000 -85.11259 -79.98684 5.12575 2.51567 -81.21674 996.98462
1765.0000 -86.23163 -80.23399 5.99763 2.60088 -80.27061 1090.38791
1770.0000 -85.69878 -79.93099 5.76779 2.58869 -80.40593 1022.11608
1775.0000 -85.65657 -81.56303 4.09355 2.57756 -80.52955 1055.08242
1780.0000 -86.75774 -81.58774 5.17000 2.45575 -81.88207 949.79393
1785.0000 -87.19324 -81.60408 5.58916 2.44959 -81.95049 951.71558
1790.0000 -87.57224 -81.40740 6.16484 2.52386 -81.12579 1025.60047
1795.0000 -84.69642 -79.74127 4.95516 2.53588 -80.99238 1033.01476
1800.0000 -85.33534 -80.46802 4.86731 2.61872 -80.07257 1065.88268
1805.0000 -85.41398 -80.42700 4.98698 2.61992 -80.05916 1059.36776
1810.0000 -84.18737 -79.23039 4.95698 2.67404 -79.45826 1073.76154
1815.0000 -84.39601 -79.23878 5.15723 2.67598 -79.43673 1137.22026
1820.0000 -84.43980 -79.68981 4.74999 2.65979 -79.61648 1083.98224
1825.0000 -85.63136 -80.11575 5.51561 2.64529 -79.77745 1078.16936
1830.0000 -85.43654 -80.52033 4.91620 2.62884 -79.96015 1107.77100
1835.0000 -85.14168 -80.56195 4.57973 2.58279 -80.47151 1054.29438
1840.0000 -87.38489 -82.71554 4.66935 2.53655 -80.98485 1042.85607
1845.0000 -84.96608 -80.75736 4.20871 2.48476 -81.55998 959.70280
1850.0000 -86.05907 -81.65500 4.40407 2.54543 -80.88626 983.90427
1855.0000 -84.77731 -78.98814 5.78917 2.61297 -80.13631 1058.07803
1860.0000 -84.04916 -79.50089 4.54827 2.69497 -79.22589 1160.93741
1865.0000 -85.49763 -80.18657 5.31106 2.63414 -79.90131 1123.39992
1870.0000 -84.93771 -80.15459 4.78311 2.61223 -80.14462 1085.95908
1875.0000 -86.21005 -81.65939 4.55066 2.53292 -81.02523 1020.49285
1880.0000 -85.33839 -81.34306 3.99533 2.49646 -81.43008 1014.13267
1885.0000 -84.47761 -79.83450 4.64311 2.54067 -80.93919 1013.04389
1890.0000 -85.63907 -78.91804 6.72103 2.71730 -78.97790 1216.12719
1895.0000 -85.47164 -80.04475 5.42689 2.69912 -79.17979 1166.53874
1900.0000 -85.36527 -80.34164 5.02364 2.63211 -79.92388 1069.24090
1905.0000 -86.25902 -81.66110 4.59792 2.55537 -80.77598 1019.48461
1910.0000 -85.89925 -80.95374 4.94551 2.57208 -80.59036 1024.58057
1915.0000 -83.93821 -79.54971 4.38850 2.63523 -79.88914 1110.82088
1920.0000 -84.37763 -80.06824 4.30939 2.61490 -80.11496 1057.05107
1925.0000 -85.62289 -80.47430 5.14859 2.56210 -80.70122 985.92167
1930.0000 -85.76608 -81.41661 4.34947 2.47661 -81.65051 958.79706
1935.0000 -84.61168 -80.08577 4.52591 2.58541 -80.44233 1052.47327
1940.0000 -84.20345 -79.43733 4.76612 2.62886 -79.95993 1069.93767
1945.0000 -84.14895 -80.59038 3.55857 2.61996 -80.05871 1072.38489
1950.0000 -83.86154 -78.57283 5.28871 2.65187 -79.70439 1102.82698
1955.0000 -85.48454 -80.65262 4.83192 2.64580 -79.77188 1120.29684
1960.0000 -83.65641 -78.53397 5.12245 2.64222 -79.81162 1128.64110
1965.0000 -85.87659 -79.29851 6.57809 2.69213 -79.25739 1123.26465
1970.0000 -84.99565 -79.72528 5.27037 2.67108 -79.49112 1142.89560
1975.0000 -84.73713 -79.96782 4.76931 2.62249 -80.03061 1107.19466
1980.0000 -84.92720 -80.45098 4.47622 2.64836 -79.74335 1150.61938
1985.0000 -86.14519 -80.83235 5.31284 2.56136 -80.70947 1029.10102
1990.0000 -85.52381 -80.59664 4.92717 2.59794 -80.30329 1063.65996
1995.0000 -85.58727 -80.48397 5.10329 2.59293 -80.35886 1049.91542
2000.0000 -85.15420 -80.55302 4.60118 2.54676 -80.87150 1033.48316
FREEZING PROCESS: loop number 9 T-loop= 1028.0000000000000
main_MD> interactions number 9 at Temperature= 1028.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.14308 0.32165 0.57427
force_rgl> df(natom) -1.19640 0.81917 -2.91588
2005.0000 -86.04904 -81.63863 4.41041 2.51435 -81.23139 978.72794
2010.0000 -87.18668 -81.95544 5.23124 2.43646 -82.09633 932.65284
2015.0000 -86.25889 -81.60148 4.65740 2.47037 -81.71978 943.22341
2020.0000 -85.88475 -80.32791 5.55684 2.56568 -80.66150 1055.30114
2025.0000 -85.50007 -81.31253 4.18754 2.53709 -80.97890 1091.38284
2030.0000 -86.19694 -80.45552 5.74142 2.52941 -81.06413 1011.57493
2035.0000 -86.18107 -82.24535 3.93572 2.48259 -81.58402 953.32581
2040.0000 -85.47428 -80.85178 4.62250 2.48981 -81.50388 966.31729
2045.0000 -86.50111 -81.79251 4.70860 2.48014 -81.61129 943.52926
2050.0000 -85.60889 -81.01982 4.58907 2.46965 -81.72773 942.15673
2055.0000 -86.42588 -82.37356 4.05232 2.53129 -81.04336 1003.58399
2060.0000 -86.84750 -82.76876 4.07874 2.39595 -82.54604 859.21455
2065.0000 -86.74266 -82.53689 4.20577 2.39757 -82.52813 823.92158
2070.0000 -86.97178 -83.54591 3.42587 2.33414 -83.23236 858.26050
2075.0000 -86.78761 -81.72823 5.05937 2.45244 -81.91886 947.81151
2080.0000 -85.83930 -80.87773 4.96156 2.45253 -81.91782 966.47688
2085.0000 -86.55857 -82.54135 4.01722 2.43691 -82.09128 900.60995
2090.0000 -86.04947 -81.19567 4.85380 2.43291 -82.13564 929.40334
2095.0000 -87.39133 -82.62240 4.76893 2.41509 -82.33352 952.41606
2100.0000 -86.14387 -81.79845 4.34541 2.44981 -81.94800 936.97379
2105.0000 -87.34456 -81.47712 5.86743 2.50056 -81.38458 964.97114
2110.0000 -86.55192 -82.77402 3.77790 2.40984 -82.39184 938.64887
2115.0000 -85.76207 -81.15440 4.60766 2.46625 -81.76544 952.89462
2120.0000 -85.76362 -81.09592 4.66770 2.46960 -81.72829 970.83971
2125.0000 -87.73365 -82.45842 5.27523 2.48280 -81.58171 984.36751
2130.0000 -87.07477 -81.68960 5.38516 2.39349 -82.57344 938.20596
2135.0000 -86.91756 -82.84701 4.07055 2.41092 -82.37981 920.30964
2140.0000 -87.00813 -81.80537 5.20276 2.45543 -81.88566 979.93070
2145.0000 -84.15418 -78.39223 5.76195 2.56122 -80.71098 1006.77325
2150.0000 -85.97487 -81.15393 4.82094 2.73146 -78.82069 1179.83693
2155.0000 -84.97586 -80.42011 4.55576 2.54679 -80.87121 1022.99261
2160.0000 -85.41718 -80.69829 4.71890 2.52553 -81.10724 993.94724
2165.0000 -84.48796 -79.34995 5.13801 2.60182 -80.26013 1080.48248
2170.0000 -84.65184 -80.06696 4.58488 2.65303 -79.69150 1075.62297
2175.0000 -85.78799 -80.45589 5.33210 2.63377 -79.90540 1099.34449
2180.0000 -84.05218 -78.39390 5.65828 2.71005 -79.05840 1182.83785
2185.0000 -85.22819 -80.41849 4.80970 2.64634 -79.76577 1092.14143
2190.0000 -83.24051 -78.22961 5.01091 2.69501 -79.22542 1120.25337
2195.0000 -85.21238 -79.67499 5.53739 2.66511 -79.55746 1123.89275
2200.0000 -85.34104 -81.32025 4.02079 2.60305 -80.24648 1071.26891
2205.0000 -86.49902 -81.18697 5.31205 2.47955 -81.61780 980.48278
2210.0000 -84.81842 -78.79043 6.02799 2.57034 -80.60967 987.07694
2215.0000 -86.01171 -80.72241 5.28930 2.64450 -79.78625 1123.03031
2220.0000 -87.35348 -82.66997 4.68352 2.45809 -81.85612 981.66881
2225.0000 -86.45950 -81.80925 4.65025 2.45432 -81.89794 997.70002
2230.0000 -86.24828 -81.66676 4.58152 2.52732 -81.08739 1039.55228
2235.0000 -85.76496 -81.14766 4.61730 2.47839 -81.63066 952.05784
2240.0000 -85.27195 -80.76312 4.50884 2.56905 -80.62403 1019.90699
2245.0000 -85.75572 -79.36726 6.38845 2.56335 -80.68732 1069.43784
2250.0000 -84.96358 -79.82267 5.14090 2.64556 -79.77445 1135.81507
FREEZING PROCESS: loop number 10 T-loop= 1003.0000000000000
main_MD> interactions number 10 at Temperature= 1003.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.01123 -1.07726 -1.68433
force_rgl> df(natom) 2.54426 0.90025 -2.26368
2255.0000 -84.92242 -79.34587 5.57655 2.65825 -79.63360 1122.58233
2260.0000 -86.25245 -80.43355 5.81891 2.60375 -80.23870 1022.01511
2265.0000 -86.68417 -81.44364 5.24053 2.49113 -81.48918 930.21366
2270.0000 -86.12916 -82.25502 3.87415 2.42310 -82.24462 911.91224
2275.0000 -86.52775 -81.91172 4.61603 2.40978 -82.39248 928.60178
2280.0000 -84.37466 -79.47403 4.90063 2.52596 -81.10244 979.65251
2285.0000 -85.57210 -79.91334 5.65876 2.59189 -80.37045 1038.51208
2290.0000 -83.12925 -78.26355 4.86569 2.73391 -78.79351 1180.27258
2295.0000 -84.32406 -79.55563 4.76844 2.64797 -79.74773 1105.01277
2300.0000 -86.45005 -82.49560 3.95445 2.48934 -81.50909 978.03945
2305.0000 -86.42837 -82.15961 4.26876 2.43898 -82.06825 901.02949
2310.0000 -85.83444 -81.85092 3.98352 2.47288 -81.69192 960.64865
2315.0000 -85.89007 -81.25476 4.63531 2.48257 -81.58433 967.35960
2320.0000 -84.93028 -80.75657 4.17371 2.51662 -81.20625 957.72174
2325.0000 -85.31608 -80.66763 4.64844 2.52440 -81.11987 983.71291
2330.0000 -85.53123 -80.03511 5.49612 2.61880 -80.07164 1089.02219
2335.0000 -85.44588 -80.08310 5.36278 2.55031 -80.83212 1014.76224
2340.0000 -85.91405 -81.92288 3.99118 2.53224 -81.03271 958.87561
2345.0000 -86.58623 -81.89191 4.69433 2.44333 -82.02003 930.33480
2350.0000 -87.17896 -83.89020 3.28876 2.35690 -82.97965 856.08074
2355.0000 -86.90264 -82.93894 3.96370 2.32104 -83.37784 836.05896
2360.0000 -87.00477 -82.04439 4.96039 2.39268 -82.58240 930.57320
2365.0000 -85.87848 -80.63055 5.24793 2.51080 -81.27077 973.60416
2370.0000 -85.25104 -79.74959 5.50145 2.58482 -80.44890 1021.62980
2375.0000 -84.12541 -80.10347 4.02194 2.64541 -79.77618 1082.04480
2380.0000 -86.13342 -79.58269 6.55073 2.65956 -79.61901 1146.70274
2385.0000 -84.98096 -80.01500 4.96596 2.58430 -80.45473 1060.13108
2390.0000 -85.65682 -81.52082 4.13600 2.47354 -81.68459 964.94802
2395.0000 -86.38130 -80.89607 5.48523 2.55778 -80.74918 1054.39232
2400.0000 -85.95483 -81.08306 4.87177 2.48938 -81.50869 956.92365
2405.0000 -85.62234 -81.12083 4.50150 2.57264 -80.58414 1048.65111
2410.0000 -86.01722 -80.69620 5.32103 2.53545 -80.99711 995.19485
2415.0000 -86.39373 -80.86784 5.52589 2.56484 -80.67073 1117.64424
2420.0000 -85.78552 -81.31654 4.46898 2.55100 -80.82446 1062.98355
2425.0000 -86.04300 -81.16257 4.88043 2.47455 -81.67333 960.98712
2430.0000 -85.30286 -81.29799 4.00487 2.52219 -81.14431 972.57994
2435.0000 -85.65542 -80.75428 4.90114 2.57944 -80.50866 1047.15266
2440.0000 -86.62896 -81.90387 4.72508 2.49256 -81.47332 961.81467
2445.0000 -86.42513 -81.35564 5.06949 2.47895 -81.62447 987.67799
2450.0000 -85.97448 -81.25817 4.71632 2.49319 -81.46638 963.52320
2455.0000 -86.62029 -82.36790 4.25239 2.43642 -82.09676 911.03541
2460.0000 -86.90929 -81.76206 5.14723 2.44446 -82.00748 950.11872
2465.0000 -85.36743 -80.00806 5.35937 2.56994 -80.61418 1081.47124
2470.0000 -85.85311 -80.58787 5.26524 2.66374 -79.57260 1156.20208
2475.0000 -86.11601 -80.15779 5.95822 2.62186 -80.03768 1107.52970
2480.0000 -87.52919 -82.19359 5.33560 2.48481 -81.55946 978.53792
2485.0000 -87.27736 -83.30272 3.97464 2.42003 -82.27871 942.43767
2490.0000 -86.53606 -81.63414 4.90192 2.40378 -82.45919 917.74709
2495.0000 -84.70606 -79.82484 4.88121 2.56358 -80.68472 1019.81454
2500.0000 -85.30567 -80.69686 4.60880 2.62508 -80.00189 1108.24423
FREEZING PROCESS: loop number 11 T-loop= 978.00000000000000
main_MD> interactions number 11 at Temperature= 978.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.14924 -4.13734 4.64741
force_rgl> df(natom) -1.85525 6.97575 -7.54497
2505.0000 -87.29903 -82.01280 5.28624 2.47533 -81.66472 973.92224
2510.0000 -86.64505 -81.87444 4.77061 2.40512 -82.44424 927.41674
2515.0000 -86.24935 -81.81443 4.43492 2.51395 -81.23587 1005.96760
2520.0000 -87.80718 -84.14881 3.65838 2.38317 -82.68804 902.26912
2525.0000 -86.45840 -81.62696 4.83143 2.34398 -83.12314 857.56213
2530.0000 -86.26956 -82.31832 3.95124 2.46783 -81.74795 967.41240
2535.0000 -86.19831 -81.14732 5.05099 2.43098 -82.15711 877.02127
2540.0000 -83.77208 -79.77469 3.99739 2.60409 -80.23495 1044.93992
2545.0000 -85.17812 -80.43247 4.74565 2.62558 -79.99633 1070.18519
2550.0000 -86.43487 -81.32357 5.11129 2.45651 -81.87365 995.05492
2555.0000 -85.93877 -82.00956 3.92920 2.44574 -81.99319 971.55855
2560.0000 -85.72075 -80.76682 4.95393 2.48623 -81.54365 982.72477
2565.0000 -86.47866 -80.88013 5.59852 2.56956 -80.61837 1047.73185
2570.0000 -86.55173 -81.45047 5.10127 2.49285 -81.47012 999.16622
2575.0000 -85.10771 -80.26234 4.84538 2.58439 -80.45370 1022.45140
2580.0000 -86.83026 -81.90214 4.92812 2.47373 -81.68245 919.78739
2585.0000 -86.82671 -82.13666 4.69005 2.45650 -81.87373 951.90164
2590.0000 -86.30528 -81.13960 5.16569 2.43842 -82.07455 928.11394
2595.0000 -86.53168 -81.40947 5.12221 2.49830 -81.40957 980.33024
2600.0000 -86.28355 -80.67784 5.60572 2.50948 -81.28543 978.83138
2605.0000 -86.04741 -81.36938 4.67803 2.46308 -81.80069 949.57832
2610.0000 -85.61978 -80.75241 4.86736 2.56618 -80.65590 1031.60177
2615.0000 -86.20051 -82.01142 4.18909 2.51909 -81.17879 999.67724
2620.0000 -86.81565 -82.31130 4.50435 2.43469 -82.11590 924.34896
2625.0000 -87.31967 -82.44335 4.87632 2.40822 -82.40981 933.39131
2630.0000 -86.49716 -81.24988 5.24729 2.49210 -81.47849 953.96387
2635.0000 -86.53668 -81.60419 4.93249 2.45822 -81.85463 923.90870
2640.0000 -86.30058 -82.29398 4.00659 2.49873 -81.40479 954.74057
2645.0000 -85.41930 -81.08239 4.33691 2.46551 -81.77370 923.66877
2650.0000 -86.17070 -81.27044 4.90026 2.51152 -81.26286 995.85176
2655.0000 -85.54544 -81.37927 4.16618 2.55786 -80.74829 1037.60628
2660.0000 -87.22934 -82.04565 5.18369 2.47301 -81.69041 936.76475
2665.0000 -85.16597 -80.38152 4.78445 2.53384 -81.01501 988.76251
2670.0000 -86.21996 -80.84518 5.37478 2.57165 -80.59515 1050.58829
2675.0000 -86.61926 -81.71503 4.90423 2.47410 -81.67830 967.57009
2680.0000 -86.72196 -81.78674 4.93522 2.40530 -82.44226 919.95191
2685.0000 -86.28678 -81.39924 4.88754 2.43878 -82.07047 916.84337
2690.0000 -86.24669 -80.41362 5.83307 2.49620 -81.43297 982.36122
2695.0000 -87.05854 -82.40594 4.65260 2.49068 -81.49425 1016.89749
2700.0000 -86.76623 -81.54220 5.22403 2.44774 -81.97098 988.27905
2705.0000 -85.65501 -81.73248 3.92254 2.48902 -81.51268 968.31983
2710.0000 -84.88701 -80.31776 4.56925 2.57107 -80.60161 1029.46962
2715.0000 -86.13345 -80.86725 5.26620 2.60351 -80.24141 1107.58976
2720.0000 -86.15786 -81.79350 4.36435 2.45644 -81.87439 930.53949
2725.0000 -85.48315 -80.49674 4.98641 2.55252 -80.80760 1035.61297
2730.0000 -86.50448 -81.65978 4.84470 2.53604 -80.99053 1039.85362
2735.0000 -87.17380 -82.50713 4.66667 2.41984 -82.28084 956.29247
2740.0000 -86.54458 -82.17512 4.36946 2.39981 -82.50324 938.40148
2745.0000 -85.57358 -80.29542 5.27816 2.54870 -80.84997 1026.22533
2750.0000 -84.72538 -81.22834 3.49704 2.51785 -81.19259 987.72854
FREEZING PROCESS: loop number 12 T-loop= 953.00000000000000
main_MD> interactions number 12 at Temperature= 953.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.52281 2.82886 0.68013
force_rgl> df(natom) 0.22302 -0.15631 0.26317
2755.0000 -86.08760 -81.39092 4.69668 2.59315 -80.35640 1016.96184
2760.0000 -87.67333 -82.97274 4.70059 2.42226 -82.25389 912.23055
2765.0000 -86.01793 -82.10142 3.91651 2.41532 -82.33102 918.18887
2770.0000 -86.54104 -82.63963 3.90140 2.38334 -82.68610 885.43010
2775.0000 -85.36240 -82.03385 3.32855 2.41980 -82.28129 908.93735
2780.0000 -88.03103 -80.90967 7.12136 2.45842 -81.85245 962.28189
2785.0000 -85.68814 -81.55339 4.13475 2.58199 -80.48035 1092.82961
2790.0000 -85.00939 -81.15254 3.85685 2.47864 -81.62789 957.17521
2795.0000 -85.43011 -81.08043 4.34968 2.49246 -81.47443 951.25960
2800.0000 -85.83780 -81.17987 4.65792 2.53703 -80.97952 1049.43359
2805.0000 -85.34482 -81.50441 3.84041 2.48467 -81.56098 950.68692
2810.0000 -85.91909 -80.56112 5.35797 2.49450 -81.45184 992.74372
2815.0000 -87.65520 -82.73905 4.91615 2.46716 -81.75539 960.87293
2820.0000 -87.36503 -82.86667 4.49836 2.37998 -82.72338 845.77743
2825.0000 -86.55712 -81.97304 4.58408 2.40425 -82.45397 930.30280
2830.0000 -86.47139 -80.89292 5.57847 2.50704 -81.31255 976.13564
2835.0000 -86.05166 -81.47769 4.57397 2.46770 -81.74940 943.02579
2840.0000 -86.40964 -82.35811 4.05153 2.48619 -81.54405 975.33909
2845.0000 -85.80096 -81.39708 4.40389 2.42767 -82.19388 913.11894
2850.0000 -86.14730 -82.06737 4.07993 2.46916 -81.73313 948.84136
2855.0000 -84.93525 -80.72553 4.20972 2.48496 -81.55779 954.01430
2860.0000 -85.97658 -81.53279 4.44379 2.55078 -80.82689 1017.65635
2865.0000 -86.19297 -81.42627 4.76670 2.48419 -81.56625 922.26282
2870.0000 -86.64978 -82.18403 4.46575 2.45097 -81.93512 964.43453
2875.0000 -86.55138 -81.28957 5.26181 2.52795 -81.08042 995.09860
2880.0000 -84.89424 -80.33960 4.55464 2.49622 -81.43271 930.95076
2885.0000 -85.72552 -81.28446 4.44106 2.57257 -80.58498 1005.22236
2890.0000 -85.42359 -80.44976 4.97383 2.48575 -81.54896 940.40412
2895.0000 -85.76570 -81.84607 3.91963 2.55180 -80.81558 979.39224
2900.0000 -87.05512 -82.82661 4.22851 2.44052 -82.05124 920.88935
2905.0000 -86.07960 -82.06643 4.01317 2.42528 -82.22044 939.34096
2910.0000 -86.71188 -81.83575 4.87613 2.45530 -81.88705 925.56935
2915.0000 -86.45914 -82.80883 3.65031 2.43221 -82.14349 944.24795
2920.0000 -87.07104 -82.60446 4.46658 2.41022 -82.38763 909.56538
2925.0000 -86.19650 -82.44074 3.75577 2.46289 -81.80285 996.57848
2930.0000 -86.36712 -82.14326 4.22386 2.45248 -81.91840 943.00268
2935.0000 -86.45306 -81.17745 5.27561 2.51349 -81.24095 975.11582
2940.0000 -87.74164 -82.39414 5.34751 2.41242 -82.36320 903.74133
2945.0000 -87.62014 -81.63678 5.98336 2.44338 -82.01940 986.37787
2950.0000 -86.61859 -82.58797 4.03062 2.44133 -82.04225 978.31606
2955.0000 -87.14191 -82.69227 4.44964 2.36268 -82.91546 851.55294
2960.0000 -87.14085 -82.70575 4.43509 2.36084 -82.93599 877.18296
2965.0000 -87.30882 -82.95753 4.35130 2.36045 -82.94028 883.40678
2970.0000 -87.48919 -82.65853 4.83066 2.41939 -82.28583 945.94437
2975.0000 -86.28965 -82.31508 3.97457 2.47616 -81.65542 949.84871
2980.0000 -85.49221 -81.76293 3.72928 2.52142 -81.15295 999.49733
2985.0000 -86.46753 -81.84417 4.62335 2.44415 -82.01086 976.83680
2990.0000 -86.26246 -81.00847 5.25400 2.45442 -81.89687 920.99768
2995.0000 -86.85630 -81.92764 4.92866 2.44361 -82.01691 910.31450
3000.0000 -86.41251 -82.20852 4.20399 2.38999 -82.61222 880.57706
FREEZING PROCESS: loop number 13 T-loop= 928.00000000000000
main_MD> interactions number 13 at Temperature= 928.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.87213 1.36890 1.92867
force_rgl> df(natom) 0.46317 -0.80976 0.03711
3005.0000 -88.07399 -83.06384 5.01015 2.43306 -82.13402 941.02300
3010.0000 -86.39050 -82.16675 4.22375 2.44028 -82.05383 933.67304
3015.0000 -86.75090 -83.07299 3.67791 2.38101 -82.71195 892.21816
3020.0000 -85.75958 -81.63429 4.12529 2.39446 -82.56264 898.95083
3025.0000 -86.44945 -81.70050 4.74895 2.53824 -80.96610 984.84324
3030.0000 -87.51911 -82.39516 5.12395 2.45884 -81.84773 989.84379
3035.0000 -86.36083 -82.28999 4.07084 2.39601 -82.54538 872.57025
3040.0000 -86.86036 -82.60677 4.25360 2.36932 -82.84176 911.52592
3045.0000 -87.08999 -81.68061 5.40938 2.47834 -81.63122 985.11971
3050.0000 -84.84874 -81.35947 3.48927 2.46822 -81.74363 973.23877
3055.0000 -85.30850 -80.78414 4.52436 2.48695 -81.53564 1012.11006
3060.0000 -86.65437 -81.21317 5.44120 2.49180 -81.48182 949.21537
3065.0000 -86.50275 -81.85262 4.65013 2.46910 -81.73386 975.81555
3070.0000 -86.77720 -81.92417 4.85303 2.43678 -82.09267 901.24037
3075.0000 -86.91677 -81.53721 5.37956 2.44498 -82.00166 961.70307
3080.0000 -85.86494 -81.31472 4.55022 2.43574 -82.10424 967.06933
3085.0000 -85.52390 -79.54459 5.97931 2.60764 -80.19554 1127.69785
3090.0000 -84.28820 -79.89971 4.38848 2.62714 -79.97904 1107.28619
3095.0000 -85.83931 -81.98558 3.85373 2.49470 -81.44958 991.32642
3100.0000 -87.65525 -83.32746 4.32778 2.38160 -82.70542 886.10796
3105.0000 -88.22151 -84.34960 3.87191 2.33871 -83.18170 874.44163
3110.0000 -87.57374 -83.46943 4.10430 2.27609 -83.87697 781.71724
3115.0000 -87.58147 -84.34248 3.23900 2.31004 -83.50003 830.16793
3120.0000 -86.68266 -82.56480 4.11786 2.31959 -83.39396 821.27767
3125.0000 -85.83893 -80.56020 5.27873 2.47978 -81.61525 967.21092
3130.0000 -85.09057 -80.39712 4.69345 2.55344 -80.79739 1055.17617
3135.0000 -85.25726 -81.87810 3.37916 2.50637 -81.32001 1022.76142
3140.0000 -85.30854 -80.52254 4.78600 2.54336 -80.90933 1006.85958
3145.0000 -85.49643 -81.17228 4.32414 2.58724 -80.42211 1060.97083
3150.0000 -86.11563 -82.79245 3.32318 2.50686 -81.31459 972.95784
3155.0000 -86.41508 -82.06483 4.35025 2.41867 -82.29386 905.98599
3160.0000 -85.88862 -81.49462 4.39400 2.46388 -81.79178 958.91758
3165.0000 -86.20038 -81.95449 4.24589 2.51380 -81.23746 991.73501
3170.0000 -86.67001 -82.37671 4.29330 2.38470 -82.67103 922.33641
3175.0000 -87.28584 -83.72393 3.56191 2.38638 -82.65231 910.81405
3180.0000 -86.81590 -82.94797 3.86793 2.26078 -84.04692 816.72809
3185.0000 -87.14432 -82.33151 4.81281 2.33475 -83.22564 870.10967
3190.0000 -87.93835 -83.55791 4.38044 2.44126 -82.04300 987.35632
3195.0000 -88.02371 -83.72016 4.30355 2.27503 -83.88875 782.18460
3200.0000 -87.62417 -83.44956 4.17461 2.31488 -83.44622 866.16903
3205.0000 -87.54668 -82.85039 4.69629 2.34751 -83.08397 825.49745
3210.0000 -87.50477 -83.78960 3.71517 2.31435 -83.45211 867.16452
3215.0000 -86.55154 -82.57833 3.97321 2.42139 -82.26365 870.18019
3220.0000 -86.09189 -82.08518 4.00670 2.41305 -82.35620 906.20714
3225.0000 -85.87134 -81.34823 4.52311 2.45816 -81.85527 979.66775
3230.0000 -86.07721 -81.88380 4.19341 2.42304 -82.24528 936.56727
3235.0000 -86.19061 -81.64774 4.54287 2.45018 -81.94395 911.35695
3240.0000 -85.04459 -81.46828 3.57631 2.46441 -81.78597 941.92875
3245.0000 -86.42525 -80.58516 5.84009 2.48755 -81.52895 965.23379
3250.0000 -85.77084 -80.72862 5.04221 2.55227 -80.81030 987.69641
FREEZING PROCESS: loop number 14 T-loop= 903.00000000000000
main_MD> interactions number 14 at Temperature= 903.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.97905 3.05568 0.27996
force_rgl> df(natom) -4.58600 0.62161 0.97134
3255.0000 -85.23086 -80.53069 4.70017 2.55366 -80.79487 1033.47283
3260.0000 -87.54190 -84.11573 3.42616 2.43937 -82.06393 929.76822
3265.0000 -87.27877 -83.82231 3.45646 2.27572 -83.88110 820.95120
3270.0000 -86.93933 -82.83695 4.10238 2.37277 -82.80344 920.19109
3275.0000 -88.89029 -83.79026 5.10003 2.31653 -83.42796 858.72846
3280.0000 -86.74777 -81.76303 4.98474 2.36668 -82.87114 899.88852
3285.0000 -86.20046 -81.95567 4.24479 2.39664 -82.53847 894.00653
3290.0000 -87.46887 -82.31276 5.15611 2.43143 -82.15208 931.47931
3295.0000 -85.74509 -81.01084 4.73425 2.47662 -81.65030 951.70812
3300.0000 -84.83125 -81.23487 3.59638 2.51340 -81.24190 967.24808
3305.0000 -85.93729 -81.99184 3.94545 2.52343 -81.13060 902.58310
3310.0000 -87.05054 -83.71491 3.33563 2.41533 -82.33093 870.86372
3315.0000 -87.47790 -83.40484 4.07306 2.40376 -82.45939 894.58786
3320.0000 -87.51714 -82.54670 4.97044 2.38904 -82.62278 885.42923
3325.0000 -87.25832 -82.78014 4.47818 2.40861 -82.40555 946.59621
3330.0000 -87.36863 -83.55337 3.81526 2.37052 -82.82850 940.07876
3335.0000 -86.13239 -81.48936 4.64303 2.36746 -82.86241 902.37407
3340.0000 -87.15366 -83.07321 4.08046 2.46499 -81.77950 955.70491
3345.0000 -87.67761 -82.21354 5.46407 2.42443 -82.22981 900.49465
3350.0000 -87.62648 -83.18121 4.44527 2.37813 -82.74397 890.98695
3355.0000 -87.99306 -83.80734 4.18572 2.29279 -83.69159 847.73976
3360.0000 -87.26069 -83.68223 3.57845 2.22568 -84.43676 769.53559
3365.0000 -87.59385 -83.77019 3.82365 2.26894 -83.95632 761.46615
3370.0000 -85.26722 -81.21205 4.05517 2.42552 -82.21779 919.40329
3375.0000 -86.02543 -81.31166 4.71377 2.51163 -81.26164 999.59214
3380.0000 -86.27069 -82.11499 4.15569 2.39586 -82.54703 892.59586
3385.0000 -86.68783 -81.50906 5.17877 2.42136 -82.26392 919.09898
3390.0000 -85.74997 -80.63644 5.11354 2.51480 -81.22641 1017.28401
3395.0000 -86.25794 -81.23580 5.02215 2.54119 -80.93343 975.51161
3400.0000 -86.72510 -83.09172 3.63337 2.46175 -81.81543 915.22161
3405.0000 -87.71071 -83.19420 4.51651 2.36975 -82.83699 869.26804
3410.0000 -85.58960 -80.27735 5.31224 2.38490 -82.66876 837.42851
3415.0000 -87.65691 -81.81731 5.83961 2.53796 -80.96925 1006.28525
3420.0000 -86.18102 -82.36783 3.81319 2.43046 -82.16290 905.32955
3425.0000 -85.71014 -81.72960 3.98054 2.38396 -82.67922 856.40914
3430.0000 -87.17494 -83.00266 4.17228 2.40250 -82.47338 853.45226
3435.0000 -86.34014 -81.71078 4.62937 2.44162 -82.03897 933.93971
3440.0000 -86.78639 -82.49372 4.29267 2.50960 -81.28420 1010.76567
3445.0000 -87.86560 -83.79943 4.06617 2.33158 -83.26084 814.47704
3450.0000 -87.89684 -83.47808 4.41876 2.30177 -83.59187 831.01129
3455.0000 -87.75935 -83.99056 3.76879 2.31858 -83.40515 833.35386
3460.0000 -87.59834 -83.26526 4.33308 2.32748 -83.30637 871.27652
3465.0000 -86.98339 -82.96205 4.02134 2.41332 -82.35322 907.66451
3470.0000 -86.47668 -82.35475 4.12192 2.41065 -82.38284 854.35137
3475.0000 -88.05897 -83.39513 4.66383 2.33864 -83.18243 847.56712
3480.0000 -85.85071 -81.50850 4.34221 2.39560 -82.55001 894.34167
3485.0000 -84.74944 -79.44443 5.30501 2.53878 -80.96012 1028.53235
3490.0000 -86.02091 -81.77691 4.24399 2.57636 -80.54284 1049.05553
3495.0000 -86.94913 -82.96348 3.98564 2.43664 -82.09430 926.32685
3500.0000 -87.18093 -83.36552 3.81541 2.35829 -82.96421 837.14279
FREEZING PROCESS: loop number 15 T-loop= 878.00000000000000
main_MD> interactions number 15 at Temperature= 878.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26338 -1.37054 0.63982
force_rgl> df(natom) 0.21833 0.48138 -0.16001
3505.0000 -87.34851 -83.29902 4.04949 2.32624 -83.32014 848.83622
3510.0000 -86.25611 -82.28640 3.96971 2.42304 -82.24524 909.49195
3515.0000 -86.81896 -81.57196 5.24700 2.49697 -81.42437 964.12653
3520.0000 -87.03281 -82.79709 4.23572 2.43440 -82.11918 942.50597
3525.0000 -86.24475 -82.57722 3.66753 2.39712 -82.53313 919.74777
3530.0000 -86.87924 -83.68315 3.19609 2.28969 -83.72592 794.87328
3535.0000 -88.02902 -84.50878 3.52024 2.24918 -84.17576 768.15158
3540.0000 -87.05185 -82.95172 4.10013 2.28851 -83.73912 820.10792
3545.0000 -87.49899 -83.69893 3.80006 2.36008 -82.94440 885.19723
3550.0000 -87.80401 -83.52513 4.27887 2.31420 -83.45382 825.44205
3555.0000 -86.89757 -82.57362 4.32395 2.35989 -82.94645 846.18665
3560.0000 -87.37379 -83.96559 3.40820 2.37271 -82.80408 871.40806
3565.0000 -86.94762 -82.89002 4.05760 2.26906 -83.95505 800.69067
3570.0000 -87.05586 -83.17807 3.87779 2.35338 -83.01875 906.14568
3575.0000 -87.50999 -82.48946 5.02053 2.32312 -83.35476 909.17085
3580.0000 -85.96602 -82.36895 3.59707 2.34047 -83.16209 859.39656
3585.0000 -85.86203 -81.44226 4.41976 2.51069 -81.27202 986.09150
3590.0000 -87.46359 -82.15880 5.30479 2.41080 -82.38118 924.45232
3595.0000 -87.27257 -83.79172 3.48085 2.33265 -83.24894 876.38111
3600.0000 -87.26872 -83.23416 4.03456 2.29055 -83.71641 800.94760
3605.0000 -88.34547 -84.01604 4.32944 2.29552 -83.66125 824.87054
3610.0000 -87.48201 -83.82345 3.65856 2.27274 -83.91421 850.12277
3615.0000 -87.17004 -83.43584 3.73420 2.33372 -83.23711 836.44298
3620.0000 -87.88030 -83.49719 4.38311 2.31949 -83.39505 803.68890
3625.0000 -86.68702 -82.44188 4.24514 2.34636 -83.09672 859.58118
3630.0000 -86.99438 -82.80745 4.18693 2.43730 -82.08694 879.83823
3635.0000 -86.50331 -81.74060 4.76272 2.43067 -82.16059 902.62090
3640.0000 -87.40785 -83.17704 4.23081 2.44242 -82.03015 924.60414
3645.0000 -87.08676 -83.50330 3.58346 2.34269 -83.13743 892.83542
3650.0000 -86.77979 -82.86293 3.91686 2.30180 -83.59152 827.38513
3655.0000 -86.77478 -81.90438 4.87041 2.38734 -82.64169 904.70794
3660.0000 -86.35475 -82.37913 3.97562 2.39383 -82.56962 900.23653
3665.0000 -87.58295 -83.41237 4.17058 2.35364 -83.01583 907.32044
3670.0000 -85.61851 -81.46746 4.15105 2.34749 -83.08415 881.41849
3675.0000 -87.07554 -81.96997 5.10557 2.42061 -82.27231 935.72065
3680.0000 -86.58139 -81.23563 5.34576 2.50359 -81.35092 995.90722
3685.0000 -87.35251 -82.39999 4.95253 2.49127 -81.48772 980.04363
3690.0000 -86.30690 -82.02786 4.27904 2.45759 -81.86167 933.43157
3695.0000 -85.97522 -81.76917 4.20605 2.44704 -81.97879 952.80928
3700.0000 -87.85239 -82.83516 5.01723 2.37663 -82.76065 879.55885
3705.0000 -86.72324 -82.12741 4.59582 2.42821 -82.18792 914.55940
3710.0000 -86.93013 -83.22478 3.70535 2.40379 -82.45907 886.97320
3715.0000 -85.93166 -82.21999 3.71167 2.36414 -82.89925 827.63631
3720.0000 -85.68535 -80.75607 4.92927 2.45102 -81.93463 903.55438
3725.0000 -86.83080 -82.37385 4.45695 2.43960 -82.06144 937.25626
3730.0000 -88.08633 -83.78557 4.30076 2.33428 -83.23082 847.16100
3735.0000 -87.61822 -83.57390 4.04433 2.31690 -83.42380 832.01953
3740.0000 -87.48291 -83.42648 4.05644 2.34173 -83.14817 882.86882
3745.0000 -87.96534 -84.03535 3.92999 2.26473 -84.00317 805.98308
3750.0000 -87.64045 -83.93944 3.70101 2.24237 -84.25141 764.02593
FREEZING PROCESS: loop number 16 T-loop= 853.00000000000000
main_MD> interactions number 16 at Temperature= 853.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33146 0.46529 -1.34517
force_rgl> df(natom) -1.84509 -0.62076 2.80013
3755.0000 -87.27880 -83.29393 3.98488 2.28287 -83.80169 793.75279
3760.0000 -86.16548 -81.84628 4.31920 2.36123 -82.93163 866.74904
3765.0000 -87.63118 -82.97227 4.65890 2.42869 -82.18258 908.76603
3770.0000 -86.16246 -81.96933 4.19313 2.38004 -82.72278 862.95725
3775.0000 -86.47870 -81.68147 4.79723 2.48985 -81.50346 954.58842
3780.0000 -86.02351 -81.87542 4.14809 2.44237 -82.03070 930.76355
3785.0000 -85.63517 -81.15002 4.48515 2.43227 -82.14281 931.68749
3790.0000 -85.41114 -81.34152 4.06962 2.52088 -81.15895 983.42216
3795.0000 -85.73610 -82.14383 3.59227 2.42816 -82.18842 958.75546
3800.0000 -86.92707 -82.94436 3.98271 2.36460 -82.89415 879.39802
3805.0000 -87.14973 -83.89367 3.25605 2.29847 -83.62843 791.73931
3810.0000 -87.55225 -83.50119 4.05107 2.30005 -83.61089 827.39100
3815.0000 -87.40741 -83.70785 3.69956 2.28066 -83.82621 805.22312
3820.0000 -86.19711 -82.07671 4.12040 2.33825 -83.18680 793.17225
3825.0000 -85.73176 -81.69421 4.03755 2.45886 -81.84759 913.89174
3830.0000 -87.07450 -83.64189 3.43260 2.36034 -82.94152 835.39565
3835.0000 -89.25944 -85.26073 3.99871 2.24276 -84.24701 774.71477
3840.0000 -87.03446 -82.95144 4.08301 2.24921 -84.17546 777.89883
3845.0000 -87.06681 -83.21854 3.84827 2.39453 -82.56185 880.17511
3850.0000 -87.15776 -82.70325 4.45451 2.39070 -82.60436 870.15041
3855.0000 -86.09704 -81.46116 4.63588 2.43362 -82.12783 867.65625
3860.0000 -87.16185 -82.56218 4.59967 2.42103 -82.26755 923.31027
3865.0000 -87.61480 -83.35458 4.26023 2.36391 -82.90181 882.19507
3870.0000 -86.98651 -82.94639 4.04013 2.30749 -83.52827 856.79277
3875.0000 -88.43866 -85.10704 3.33163 2.29553 -83.66112 815.80831
3880.0000 -87.13936 -82.70830 4.43106 2.27277 -83.91381 801.82192
3885.0000 -87.76771 -83.95040 3.81731 2.33674 -83.20350 826.09417
3890.0000 -87.98377 -82.91244 5.07133 2.30985 -83.50208 837.06416
3895.0000 -87.58586 -83.70090 3.88496 2.31375 -83.45879 874.85308
3900.0000 -86.99560 -83.59861 3.39699 2.29568 -83.65950 786.12859
3905.0000 -87.55711 -83.29219 4.26493 2.26274 -84.02523 766.75788
3910.0000 -85.71175 -81.85529 3.85645 2.34303 -83.13365 828.75565
3915.0000 -86.46426 -82.21854 4.24572 2.44231 -82.03135 970.16243
3920.0000 -87.16341 -83.75796 3.40544 2.36421 -82.89847 893.43339
3925.0000 -87.50249 -83.61464 3.88784 2.28424 -83.78644 760.65279
3930.0000 -88.36760 -84.22520 4.14240 2.24610 -84.20998 766.93512
3935.0000 -87.38878 -83.40672 3.98205 2.32251 -83.36153 829.22705
3940.0000 -87.47695 -82.97298 4.50397 2.37111 -82.82192 827.27887
3945.0000 -86.36109 -82.12119 4.23990 2.38235 -82.69715 875.67939
3950.0000 -85.92170 -81.20613 4.71557 2.51860 -81.18418 1017.61192
3955.0000 -86.90643 -82.56623 4.34020 2.44953 -81.95118 935.80631
3960.0000 -87.30519 -82.99421 4.31098 2.35336 -83.01903 884.35329
3965.0000 -87.40213 -83.72634 3.67579 2.34177 -83.14765 848.57905
3970.0000 -86.22119 -83.13542 3.08577 2.32923 -83.28697 782.11403
3975.0000 -87.29988 -83.48231 3.81757 2.32689 -83.31296 808.79581
3980.0000 -87.94079 -84.92257 3.01822 2.27016 -83.94286 787.76462
3985.0000 -86.78589 -83.21987 3.56602 2.27892 -83.84551 805.72641
3990.0000 -87.42234 -84.35676 3.06558 2.27207 -83.92166 796.52147
3995.0000 -86.34259 -82.89351 3.44907 2.30031 -83.60799 819.18424
4000.0000 -87.15037 -83.11679 4.03358 2.33481 -83.22502 844.29794
FREEZING PROCESS: loop number 17 T-loop= 828.00000000000000
main_MD> interactions number 17 at Temperature= 828.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.13557 -0.78350 -1.06659
force_rgl> df(natom) 0.33571 2.66536 -1.68283
4005.0000 -86.96395 -82.84052 4.12343 2.28932 -83.73003 798.38530
4010.0000 -87.02856 -83.21505 3.81351 2.38416 -82.67696 934.01064
4015.0000 -87.13829 -81.97248 5.16582 2.36289 -82.91321 888.70868
4020.0000 -86.07797 -81.85264 4.22533 2.40886 -82.40271 895.55091
4025.0000 -87.18599 -83.11888 4.06711 2.47111 -81.71149 956.85754
4030.0000 -87.81320 -83.55472 4.25848 2.29115 -83.70976 799.68912
4035.0000 -88.82845 -85.62268 3.20577 2.23763 -84.30399 790.87451
4040.0000 -88.44402 -84.26638 4.17764 2.17913 -84.95359 693.32924
4045.0000 -87.86069 -83.97880 3.88189 2.24046 -84.27261 768.67203
4050.0000 -87.32165 -83.22202 4.09963 2.28681 -83.75799 814.43249
4055.0000 -87.92233 -83.16262 4.75971 2.29373 -83.68112 842.97806
4060.0000 -86.30791 -82.52142 3.78649 2.34220 -83.14294 799.54908
4065.0000 -88.59354 -83.62399 4.96955 2.39560 -82.54995 856.79208
4070.0000 -86.76457 -82.74967 4.01491 2.31587 -83.43522 826.79464
4075.0000 -87.26773 -82.57512 4.69260 2.37089 -82.82432 854.40272
4080.0000 -86.85583 -81.81796 5.03787 2.49632 -81.43161 985.59316
4085.0000 -86.88235 -82.51833 4.36403 2.43095 -82.15750 934.12307
4090.0000 -87.52406 -83.53771 3.98635 2.34922 -83.06496 843.64360
4095.0000 -87.47445 -83.47593 3.99852 2.28640 -83.76248 771.38604
4100.0000 -87.99476 -83.33349 4.66128 2.31060 -83.49382 831.14459
4105.0000 -88.16821 -83.94228 4.22593 2.29842 -83.62905 813.90993
4110.0000 -87.59132 -84.32745 3.26387 2.27088 -83.93479 803.07169
4115.0000 -86.79659 -83.40584 3.39075 2.31283 -83.46904 837.42871
4120.0000 -87.36149 -83.27807 4.08342 2.33888 -83.17973 872.60295
4125.0000 -85.74983 -81.21310 4.53673 2.42587 -82.21389 909.52860
4130.0000 -87.15619 -82.96211 4.19408 2.44026 -82.05408 945.22950
4135.0000 -87.80045 -83.58121 4.21924 2.31387 -83.45750 842.16707
4140.0000 -88.18998 -84.36640 3.82359 2.28428 -83.78602 824.20507
4145.0000 -87.12249 -83.13083 3.99166 2.29755 -83.63869 821.04650
4150.0000 -87.21238 -82.57205 4.64032 2.35942 -82.95173 886.31833
4155.0000 -86.27559 -82.44656 3.82904 2.44693 -81.98000 907.81779
4160.0000 -86.40123 -83.03107 3.37015 2.34293 -83.13485 798.47973
4165.0000 -88.19198 -83.18691 5.00507 2.34091 -83.15724 838.81528
4170.0000 -87.99570 -83.33290 4.66281 2.28955 -83.72754 825.23938
4175.0000 -88.34570 -83.81826 4.52744 2.31480 -83.44717 842.38534
4180.0000 -86.14835 -82.95950 3.18884 2.30338 -83.57398 822.49181
4185.0000 -86.65421 -82.80315 3.85106 2.36013 -82.94383 878.69053
4190.0000 -86.48432 -82.65820 3.82612 2.39430 -82.56444 898.00271
4195.0000 -87.14852 -82.52829 4.62023 2.38171 -82.70415 885.34759
4200.0000 -87.78578 -83.75103 4.03476 2.30049 -83.60603 812.69035
4205.0000 -87.59716 -83.85933 3.73784 2.29871 -83.62586 796.48231
4210.0000 -87.08156 -83.21304 3.86852 2.34558 -83.10534 871.25269
4215.0000 -88.07361 -84.26519 3.80842 2.31268 -83.47069 837.19399
4220.0000 -87.27286 -84.03120 3.24166 2.27495 -83.88964 784.60966
4225.0000 -86.89531 -83.53544 3.35987 2.24502 -84.22199 748.33281
4230.0000 -87.82753 -82.85967 4.96785 2.39418 -82.56579 848.96129
4235.0000 -85.89703 -81.89793 3.99910 2.40033 -82.49750 873.96633
4240.0000 -86.60868 -82.74205 3.86663 2.45047 -81.94066 915.16659
4245.0000 -87.03796 -83.57500 3.46296 2.37998 -82.72337 883.17538
4250.0000 -87.40627 -83.39382 4.01245 2.31535 -83.44099 826.60888
FREEZING PROCESS: loop number 18 T-loop= 803.00000000000000
main_MD> interactions number 18 at Temperature= 803.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.23641 -1.18022 -0.06170
force_rgl> df(natom) -0.66557 -0.52542 0.16809
4255.0000 -87.09023 -83.85032 3.23991 2.33668 -83.20418 825.68796
4260.0000 -87.74587 -83.29736 4.44851 2.31393 -83.45686 816.37655
4265.0000 -88.66778 -84.93937 3.72841 2.24924 -84.17516 800.38359
4270.0000 -87.31180 -82.51593 4.79587 2.29917 -83.62069 843.20340
4275.0000 -86.27318 -81.28698 4.98620 2.43802 -82.07892 955.12707
4280.0000 -87.25949 -82.71476 4.54473 2.46132 -81.82023 973.29718
4285.0000 -85.67657 -82.90412 2.77245 2.37166 -82.81579 879.42681
4290.0000 -89.17785 -85.31411 3.86374 2.23971 -84.28094 745.82962
4295.0000 -88.05909 -85.05439 3.00469 2.16758 -85.08181 686.21207
4300.0000 -87.62784 -83.63977 3.98807 2.21683 -84.53500 717.40252
4305.0000 -87.36052 -84.10806 3.25246 2.34419 -83.12081 835.29642
4310.0000 -87.74251 -83.85215 3.89036 2.28567 -83.77056 838.26154
4315.0000 -88.24592 -84.68643 3.55949 2.21042 -84.60610 765.17440
4320.0000 -88.35619 -85.59408 2.76211 2.14711 -85.30918 719.62450
4325.0000 -88.58353 -86.06732 2.51621 2.07454 -86.11494 647.46172
4330.0000 -88.77714 -85.22826 3.54888 2.14054 -85.38211 729.89626
4335.0000 -88.43612 -84.66082 3.77530 2.18055 -84.93786 717.26094
4340.0000 -87.70699 -83.50094 4.20606 2.24461 -84.22657 743.51991
4345.0000 -88.28699 -84.91871 3.36829 2.21809 -84.52101 773.30119
4350.0000 -89.04867 -86.40414 2.64453 2.09497 -85.88803 673.92661
4355.0000 -88.42194 -85.39506 3.02688 2.12964 -85.50309 691.20966
4360.0000 -88.34124 -85.35747 2.98377 2.14951 -85.28253 697.28618
4365.0000 -89.03969 -85.53613 3.50356 2.13471 -85.44680 655.04100
4370.0000 -87.98210 -85.09461 2.88749 2.13710 -85.42022 666.37789
4375.0000 -88.01291 -84.45617 3.55674 2.19444 -84.78358 756.14964
4380.0000 -87.23105 -84.18883 3.04222 2.31564 -83.43787 828.13111
4385.0000 -88.11502 -83.81976 4.29526 2.26600 -83.98901 778.20945
4390.0000 -88.51765 -84.59068 3.92697 2.25977 -84.05823 778.50198
4395.0000 -87.10576 -82.88304 4.22271 2.28271 -83.80344 832.10604
4400.0000 -87.65988 -82.96393 4.69595 2.37984 -82.72500 897.66004
4405.0000 -86.67697 -82.75187 3.92510 2.36571 -82.88186 887.65241
4410.0000 -87.30429 -83.58533 3.71896 2.31601 -83.43376 864.05001
4415.0000 -88.23518 -83.18403 5.05115 2.33656 -83.20558 866.98694
4420.0000 -87.85243 -84.61426 3.23817 2.26841 -83.96230 773.91489
4425.0000 -87.91383 -84.54939 3.36444 2.22284 -84.46819 766.00121
4430.0000 -88.13555 -84.19461 3.94094 2.21697 -84.53337 738.74340
4435.0000 -88.34351 -85.38772 2.95580 2.17265 -85.02553 721.38055
4440.0000 -88.36779 -85.13377 3.23402 2.14934 -85.28436 689.64136
4445.0000 -87.50774 -84.47192 3.03582 2.22707 -84.42124 734.11152
4450.0000 -88.09770 -84.47581 3.62189 2.22202 -84.47734 740.83922
4455.0000 -87.39307 -83.45060 3.94247 2.29974 -83.61441 807.28648
4460.0000 -86.72752 -82.68483 4.04270 2.37039 -82.82992 839.85734
4465.0000 -86.10912 -82.70055 3.40858 2.39080 -82.60325 882.58693
4470.0000 -88.08472 -85.56716 2.51756 2.18069 -84.93621 690.62349
4475.0000 -89.54094 -85.72791 3.81303 2.12429 -85.56249 693.59523
4480.0000 -87.32842 -84.05590 3.27252 2.17570 -84.99166 712.90620
4485.0000 -87.68460 -84.61992 3.06469 2.20649 -84.64976 736.24415
4490.0000 -88.63871 -85.98259 2.65612 2.12417 -85.56387 631.30100
4495.0000 -89.02537 -85.39235 3.63302 2.11274 -85.69080 674.43856
4500.0000 -88.34458 -85.70963 2.63495 2.09956 -85.83716 635.70846
FREEZING PROCESS: loop number 19 T-loop= 778.00000000000000
main_MD> interactions number 19 at Temperature= 778.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.46514 2.31414 0.18062
force_rgl> df(natom) -1.53272 0.57939 3.25054
4505.0000 -87.70216 -83.94458 3.75758 2.18208 -84.92081 726.34562
4510.0000 -88.09619 -83.85572 4.24047 2.29991 -83.61246 780.85533
4515.0000 -88.61387 -85.25659 3.35728 2.21294 -84.57813 728.56094
4520.0000 -89.65051 -85.82658 3.82393 2.17746 -84.97210 699.25068
4525.0000 -88.71088 -84.74171 3.96918 2.14880 -85.29031 715.21146
4530.0000 -88.74159 -85.64230 3.09929 2.15170 -85.25814 710.32170
4535.0000 -87.34914 -84.04843 3.30070 2.15618 -85.20843 679.04882
4540.0000 -87.55780 -83.70672 3.85108 2.30306 -83.57754 785.34326
4545.0000 -87.85277 -84.05606 3.79671 2.24021 -84.27541 787.83102
4550.0000 -87.02185 -83.69514 3.32672 2.24351 -84.23877 759.08987
4555.0000 -86.93785 -82.76543 4.17241 2.33521 -83.22052 801.77953
4560.0000 -86.56959 -82.79613 3.77346 2.32324 -83.35346 804.59733
4565.0000 -86.94775 -83.03802 3.90973 2.36406 -82.90016 906.09711
4570.0000 -87.62063 -82.78724 4.83339 2.34460 -83.11624 877.50428
4575.0000 -87.08611 -82.86427 4.22184 2.40071 -82.49318 879.50659
4580.0000 -87.04864 -82.90708 4.14157 2.36998 -82.83447 859.57147
4585.0000 -88.30718 -84.54037 3.76680 2.32835 -83.29665 827.53654
4590.0000 -87.98195 -83.99581 3.98613 2.26962 -83.94880 826.78502
4595.0000 -89.48260 -86.18145 3.30115 2.14130 -85.37365 687.73550
4600.0000 -88.39463 -85.17474 3.21989 2.14834 -85.29551 709.59458
4605.0000 -88.40561 -84.77848 3.62712 2.17961 -84.94829 703.50175
4610.0000 -88.75132 -85.25236 3.49896 2.14529 -85.32934 671.25318
4615.0000 -88.85600 -85.62026 3.23574 2.12990 -85.50018 686.55744
4620.0000 -87.40558 -83.97079 3.43479 2.20193 -84.70040 763.12245
4625.0000 -86.58496 -82.39267 4.19229 2.35612 -82.98831 863.72264
4630.0000 -86.33388 -82.37716 3.95672 2.41883 -82.29205 879.91137
4635.0000 -86.88365 -82.15089 4.73276 2.40393 -82.45745 914.56947
4640.0000 -87.81945 -84.37552 3.44393 2.26307 -84.02150 821.51303
4645.0000 -89.34027 -85.25322 4.08704 2.21878 -84.51329 768.55271
4650.0000 -88.31538 -84.82056 3.49482 2.16152 -85.14916 690.66792
4655.0000 -88.40306 -84.53061 3.87245 2.17740 -84.97276 733.29578
4660.0000 -88.25528 -84.22705 4.02823 2.24806 -84.18823 805.90866
4665.0000 -88.96612 -83.97877 4.98735 2.21441 -84.56185 764.01094
4670.0000 -88.68639 -84.12001 4.56638 2.24610 -84.20996 817.78526
4675.0000 -88.65621 -84.76083 3.89538 2.19122 -84.81934 756.41468
4680.0000 -86.97631 -82.56922 4.40710 2.28745 -83.75086 797.50980
4685.0000 -87.53986 -82.69532 4.84454 2.32988 -83.27966 838.33925
4690.0000 -88.49162 -84.13487 4.35674 2.26599 -83.98914 811.94407
4695.0000 -87.68172 -82.77249 4.90923 2.29487 -83.66849 829.31310
4700.0000 -87.45035 -82.84609 4.60426 2.37975 -82.72599 929.86022
4705.0000 -87.71286 -83.91934 3.79352 2.34790 -83.07964 859.05372
4710.0000 -87.97811 -83.88405 4.09407 2.29507 -83.66622 821.29391
4715.0000 -88.00677 -83.53616 4.47060 2.26422 -84.00878 792.77159
4720.0000 -87.67820 -83.50020 4.17800 2.28305 -83.79965 780.06429
4725.0000 -87.01071 -83.08404 3.92667 2.36041 -82.94071 858.66299
4730.0000 -87.22667 -83.41744 3.80924 2.30642 -83.54020 805.75766
4735.0000 -87.60467 -83.08243 4.52224 2.25253 -84.13853 788.53551
4740.0000 -86.62381 -82.74981 3.87400 2.40982 -82.39212 909.36579
4745.0000 -85.75228 -81.70309 4.04919 2.40830 -82.40895 898.58299
4750.0000 -87.30446 -83.26358 4.04088 2.39712 -82.53314 854.14302
FREEZING PROCESS: loop number 20 T-loop= 753.00000000000000
main_MD> interactions number 20 at Temperature= 753.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.68755 0.55083 0.47824
force_rgl> df(natom) 0.89893 -0.81846 0.40029
4755.0000 -88.19289 -84.49427 3.69862 2.27774 -83.85861 805.77225
4760.0000 -87.94100 -83.56948 4.37153 2.26450 -84.00571 826.90037
4765.0000 -87.98951 -84.25345 3.73606 2.27628 -83.87490 829.12210
4770.0000 -88.97710 -85.63861 3.33849 2.17424 -85.00787 720.60069
4775.0000 -87.62213 -84.30449 3.31764 2.20253 -84.69378 759.14356
4780.0000 -88.66977 -85.36985 3.29992 2.18150 -84.92722 702.40534
4785.0000 -88.87288 -86.00157 2.87131 2.13034 -85.49529 664.75602
4790.0000 -89.22554 -84.98691 4.23863 2.19693 -84.75591 782.72334
4795.0000 -88.01582 -84.30387 3.71195 2.19738 -84.75093 776.47613
4800.0000 -88.67296 -85.29817 3.37479 2.19496 -84.77779 743.22181
4805.0000 -87.83178 -84.86218 2.96960 2.16165 -85.14767 678.15174
4810.0000 -88.00283 -84.02992 3.97291 2.24294 -84.24501 784.70532
4815.0000 -88.58282 -84.84683 3.73599 2.20440 -84.67300 705.49048
4820.0000 -88.00552 -84.87220 3.13332 2.20857 -84.62670 735.47421
4825.0000 -88.10152 -84.85979 3.24173 2.15957 -85.17075 716.95782
4830.0000 -88.70529 -84.99853 3.70676 2.19436 -84.78444 739.83058
4835.0000 -88.29993 -85.04940 3.25054 2.18598 -84.87749 715.41426
4840.0000 -87.76241 -84.15060 3.61181 2.19937 -84.72890 742.26890
4845.0000 -87.86555 -84.62661 3.23895 2.24463 -84.22633 796.89606
4850.0000 -87.91876 -84.11085 3.80791 2.20281 -84.69067 729.45207
4855.0000 -88.46374 -84.13910 4.32464 2.28433 -83.78550 814.43681
4860.0000 -88.60603 -84.86255 3.74348 2.18734 -84.86238 742.95201
4865.0000 -88.40873 -85.26659 3.14214 2.18845 -84.85013 738.36381
4870.0000 -87.72870 -83.95585 3.77285 2.23784 -84.30164 757.52833
4875.0000 -87.76882 -84.91613 2.85269 2.25335 -84.12947 766.26625
4880.0000 -88.32475 -84.96145 3.36330 2.14011 -85.38689 677.40815
4885.0000 -88.30431 -84.32526 3.97904 2.25615 -84.09835 800.12995
4890.0000 -87.20625 -83.79729 3.40896 2.29277 -83.69181 815.49312
4895.0000 -87.94688 -84.47117 3.47571 2.21614 -84.54260 798.25490
4900.0000 -87.70694 -84.75623 2.95072 2.21424 -84.56371 752.09060
4905.0000 -87.95289 -84.73160 3.22129 2.21420 -84.56415 736.26290
4910.0000 -87.35548 -83.95331 3.40218 2.24108 -84.26567 767.78180
4915.0000 -87.69197 -83.81577 3.87620 2.24573 -84.21405 754.63599
4920.0000 -88.73374 -84.27126 4.46248 2.19516 -84.77563 730.10809
4925.0000 -87.11578 -83.94281 3.17297 2.29723 -83.64227 855.09318
4930.0000 -88.76848 -85.61047 3.15801 2.22619 -84.43102 755.28590
4935.0000 -89.36504 -86.01538 3.34966 2.10007 -85.83142 649.21173
4940.0000 -88.93367 -85.14972 3.78395 2.13512 -85.44231 696.95140
4945.0000 -88.93771 -85.63876 3.29894 2.08717 -85.97467 661.84600
4950.0000 -88.01255 -85.48660 2.52596 2.16729 -85.08501 691.98053
4955.0000 -88.03634 -84.94998 3.08636 2.15973 -85.16898 669.42764
4960.0000 -88.39537 -85.17742 3.21795 2.19296 -84.80000 719.71114
4965.0000 -88.34916 -84.17249 4.17667 2.19593 -84.76707 703.82068
4970.0000 -87.61424 -82.75852 4.85572 2.30949 -83.50612 834.14710
4975.0000 -87.32054 -83.67119 3.64935 2.36542 -82.88512 856.07402
4980.0000 -88.83264 -84.95795 3.87469 2.20382 -84.67941 727.10055
4985.0000 -88.39453 -83.96375 4.43078 2.21004 -84.61041 740.05188
4990.0000 -87.99816 -84.50757 3.49059 2.22288 -84.46775 763.85954
4995.0000 -88.62762 -85.51223 3.11539 2.17241 -85.02817 710.79352
5000.0000 -88.05818 -85.19756 2.86062 2.15016 -85.27530 717.38521
FREEZING PROCESS: loop number 21 T-loop= 728.00000000000000
main_MD> interactions number 21 at Temperature= 728.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.88084 -0.33123 -4.94721
force_rgl> df(natom) -1.33599 -2.08324 -2.94928
5005.0000 -87.81113 -84.73644 3.07468 2.17146 -85.03875 718.56892
5010.0000 -88.39732 -83.75793 4.63940 2.22530 -84.44095 764.42688
5015.0000 -88.13995 -83.29565 4.84430 2.26997 -83.94491 769.26142
5020.0000 -88.79548 -84.80124 3.99425 2.28264 -83.80421 839.24603
5025.0000 -87.64016 -84.24516 3.39500 2.24538 -84.21792 805.32564
5030.0000 -88.15033 -85.30902 2.84131 2.18443 -84.89473 732.74520
5035.0000 -88.03597 -84.68583 3.35013 2.11525 -85.66292 648.81311
5040.0000 -88.88205 -84.58459 4.29746 2.19958 -84.72656 741.46170
5045.0000 -89.12293 -85.56764 3.55529 2.19173 -84.81364 688.29124
5050.0000 -88.65836 -85.38602 3.27233 2.17062 -85.04813 693.93686
5055.0000 -88.67101 -85.40562 3.26538 2.16413 -85.12017 706.76021
5060.0000 -88.51250 -84.91216 3.60034 2.16037 -85.16187 724.79748
5065.0000 -88.52628 -84.74644 3.77984 2.13611 -85.43129 695.62047
5070.0000 -88.22171 -84.80157 3.42014 2.21130 -84.59635 734.37465
5075.0000 -88.15480 -85.13369 3.02111 2.17526 -84.99661 703.27750
5080.0000 -88.87197 -86.32255 2.54942 2.07620 -86.09648 597.13419
5085.0000 -88.79977 -85.42341 3.37637 2.08500 -85.99875 622.27911
5090.0000 -87.84635 -84.75173 3.09462 2.17074 -85.04679 682.04431
5095.0000 -87.96854 -84.06163 3.90690 2.23542 -84.32857 745.26146
5100.0000 -87.67466 -84.01551 3.65916 2.29474 -83.66990 809.61831
5105.0000 -88.26618 -84.77918 3.48700 2.24577 -84.21366 737.93854
5110.0000 -88.77473 -85.64056 3.13417 2.13895 -85.39975 700.54699
5115.0000 -88.41441 -84.85795 3.55646 2.20777 -84.63560 725.78619
5120.0000 -88.54242 -84.22731 4.31511 2.17445 -85.00560 700.08487
5125.0000 -86.87373 -83.40285 3.47088 2.27889 -83.84586 811.20689
5130.0000 -88.34471 -84.88008 3.46463 2.25428 -84.11914 758.68129
5135.0000 -88.78757 -85.47870 3.30888 2.19107 -84.82100 764.07300
5140.0000 -88.07827 -85.15105 2.92721 2.15750 -85.19377 701.33047
5145.0000 -87.95025 -84.42455 3.52570 2.20537 -84.66221 746.80144
5150.0000 -88.78489 -84.92367 3.86122 2.20580 -84.65750 772.61304
5155.0000 -89.57952 -86.44528 3.13424 2.13689 -85.42266 734.82037
5160.0000 -87.88254 -84.35469 3.52784 2.12397 -85.56607 699.01098
5165.0000 -87.97720 -84.39413 3.58307 2.24299 -84.24455 716.40770
5170.0000 -88.65846 -84.86484 3.79362 2.20215 -84.69793 731.88652
5175.0000 -88.24654 -83.63115 4.61539 2.23780 -84.30217 772.96074
5180.0000 -88.30603 -85.27948 3.02655 2.20549 -84.66084 733.84871
5185.0000 -88.73029 -85.02004 3.71025 2.17243 -85.02795 711.35236
5190.0000 -88.66177 -84.72913 3.93263 2.20104 -84.71034 762.07159
5195.0000 -88.39417 -85.84638 2.54779 2.16648 -85.09410 696.23199
5200.0000 -89.31164 -85.55039 3.76125 2.13684 -85.42318 670.52991
5205.0000 -88.50137 -84.62814 3.87323 2.13910 -85.39805 697.74971
5210.0000 -88.45448 -85.13038 3.32410 2.19873 -84.73594 731.36324
5215.0000 -88.79124 -85.54999 3.24124 2.11190 -85.70006 643.02290
5220.0000 -89.23986 -85.84986 3.39000 2.09453 -85.89293 663.97292
5225.0000 -88.84229 -85.07791 3.76438 2.13419 -85.45254 698.93469
5230.0000 -88.81789 -85.58938 3.22850 2.09478 -85.89017 639.95709
5235.0000 -88.34338 -84.79031 3.55307 2.13746 -85.41628 689.06180
5240.0000 -87.78094 -84.04054 3.74040 2.23623 -84.31954 783.49387
5245.0000 -87.85182 -84.81795 3.03388 2.24084 -84.26836 806.45082
5250.0000 -88.55873 -85.16922 3.38951 2.17253 -85.02692 707.01646
FREEZING PROCESS: loop number 22 T-loop= 703.00000000000000
main_MD> interactions number 22 at Temperature= 703.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92503 0.44067 -5.43945
force_rgl> df(natom) -1.84630 0.29221 -5.01825
5255.0000 -88.24595 -85.07788 3.16807 2.18594 -84.87799 708.97471
5260.0000 -88.00059 -84.60210 3.39849 2.22401 -84.45527 727.65613
5265.0000 -87.91402 -84.52931 3.38471 2.18243 -84.91699 703.61730
5270.0000 -88.76397 -85.50266 3.26132 2.18737 -84.86211 725.10117
5275.0000 -88.11939 -85.18202 2.93737 2.12126 -85.59617 633.77362
5280.0000 -87.58147 -84.26566 3.31581 2.17576 -84.99106 722.04946
5285.0000 -88.01539 -85.31777 2.69762 2.19532 -84.77386 690.09933
5290.0000 -87.58768 -84.30979 3.27789 2.13747 -85.41613 696.32614
5295.0000 -88.57056 -84.69918 3.87138 2.22725 -84.41923 755.52711
5300.0000 -88.59005 -84.87577 3.71428 2.17149 -85.03843 701.63387
5305.0000 -88.36083 -84.88800 3.47283 2.19567 -84.76997 736.48924
5310.0000 -88.61582 -84.54773 4.06809 2.25485 -84.11285 751.71410
5315.0000 -88.64598 -85.24233 3.40365 2.18568 -84.88086 731.63546
5320.0000 -88.03509 -84.07348 3.96161 2.25729 -84.08567 806.38897
5325.0000 -87.31919 -84.09865 3.22054 2.22214 -84.47607 733.87215
5330.0000 -88.47014 -84.69199 3.77815 2.26240 -84.02897 795.39996
5335.0000 -89.35000 -85.69556 3.65444 2.17924 -84.95233 735.30321
5340.0000 -89.14571 -84.97995 4.16576 2.10695 -85.75509 701.76637
5345.0000 -88.72470 -85.42673 3.29796 2.17220 -85.03050 723.21395
5350.0000 -88.58671 -85.12688 3.45983 2.17134 -85.04005 700.60704
5355.0000 -88.73112 -84.25614 4.47498 2.23230 -84.36319 737.89259
5360.0000 -88.11104 -84.89296 3.21808 2.17094 -85.04448 703.87792
5365.0000 -87.63668 -84.09372 3.54296 2.24208 -84.25457 756.98850
5370.0000 -88.17288 -84.33806 3.83482 2.21842 -84.51728 742.36124
5375.0000 -88.08064 -84.87815 3.20249 2.24804 -84.18846 765.52185
5380.0000 -88.69972 -84.99488 3.70484 2.18832 -84.85155 727.30426
5385.0000 -87.76911 -84.33960 3.42951 2.22654 -84.42714 744.18276
5390.0000 -88.56057 -83.82074 4.73983 2.20498 -84.66655 712.39747
5395.0000 -87.52958 -84.21006 3.31952 2.18851 -84.84948 739.91990
5400.0000 -88.40513 -84.96434 3.44079 2.23226 -84.36367 746.15514
5405.0000 -88.71403 -85.21129 3.50274 2.18571 -84.88055 698.19533
5410.0000 -88.46200 -84.90322 3.55879 2.14273 -85.35777 668.02263
5415.0000 -88.21646 -85.49979 2.71667 2.19853 -84.73813 717.87499
5420.0000 -89.27036 -86.11141 3.15894 2.07117 -86.15232 592.09171
5425.0000 -88.66097 -85.38968 3.27129 2.08513 -85.99730 656.97539
5430.0000 -87.54054 -83.11071 4.42982 2.27667 -83.87049 809.13226
5435.0000 -87.77749 -83.64736 4.13013 2.30570 -83.54819 845.98570
5440.0000 -88.11973 -83.67183 4.44790 2.32295 -83.35669 844.50055
5445.0000 -88.35932 -84.99091 3.36840 2.24007 -84.27689 747.09740
5450.0000 -87.19626 -83.49990 3.69636 2.25370 -84.12564 747.27228
5455.0000 -87.89478 -83.71405 4.18073 2.30092 -83.60130 811.90793
5460.0000 -88.05911 -85.19036 2.86876 2.20816 -84.63121 723.09976
5465.0000 -87.83031 -84.03475 3.79556 2.20904 -84.62152 732.20333
5470.0000 -87.99729 -83.91430 4.08300 2.30109 -83.59933 844.77003
5475.0000 -87.59713 -84.35753 3.23960 2.24292 -84.24533 771.64286
5480.0000 -88.28520 -85.20869 3.07651 2.20180 -84.70188 742.08795
5485.0000 -87.89901 -84.71517 3.18385 2.14345 -85.34982 683.47032
5490.0000 -88.39528 -85.36157 3.03371 2.16902 -85.06583 704.85500
5495.0000 -88.48106 -84.67600 3.80506 2.17961 -84.94830 663.43247
5500.0000 -88.37168 -85.00091 3.37077 2.16047 -85.16080 678.57110
FREEZING PROCESS: loop number 23 T-loop= 678.00000000000000
main_MD> interactions number 23 at Temperature= 678.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.19809 0.95757 1.27039
force_rgl> df(natom) 0.97568 0.23117 -2.50026
5505.0000 -88.51785 -85.63985 2.87800 2.16876 -85.06876 689.30703
5510.0000 -88.69139 -84.47702 4.21437 2.23541 -84.32864 785.87791
5515.0000 -89.24352 -85.78302 3.46050 2.14992 -85.27788 740.81997
5520.0000 -88.55202 -85.77336 2.77866 2.10735 -85.75063 663.00105
5525.0000 -89.28886 -85.97395 3.31491 2.11616 -85.65276 679.17872
5530.0000 -89.85474 -86.43129 3.42345 2.07820 -86.07428 666.39417
5535.0000 -88.38791 -85.28078 3.10713 2.10644 -85.76070 670.21620
5540.0000 -89.23401 -85.63242 3.60159 2.12724 -85.52971 663.64192
5545.0000 -89.27019 -85.98417 3.28601 2.09715 -85.86391 656.11600
5550.0000 -88.48505 -85.51195 2.97310 2.09847 -85.84919 662.79631
5555.0000 -88.35335 -85.58016 2.77319 2.12151 -85.59335 687.48418
5560.0000 -88.92468 -85.47671 3.44798 2.11053 -85.71534 650.90283
5565.0000 -88.77809 -85.75711 3.02098 2.11441 -85.67218 633.91083
5570.0000 -88.20206 -84.89641 3.30565 2.10810 -85.74230 668.67325
5575.0000 -88.33605 -83.97252 4.36353 2.24684 -84.20174 794.10181
5580.0000 -88.39362 -84.64515 3.74847 2.26508 -83.99918 828.65627
5585.0000 -88.77327 -85.59602 3.17725 2.16776 -85.07981 673.22343
5590.0000 -88.76148 -85.36177 3.39971 2.08745 -85.97155 621.52702
5595.0000 -88.71128 -85.64834 3.06294 2.14161 -85.37017 684.96663
5600.0000 -89.53077 -86.54009 2.99068 2.08787 -85.96692 672.72262
5605.0000 -90.17003 -86.28418 3.88585 2.03250 -86.58176 577.81761
5610.0000 -88.77222 -86.05676 2.71546 2.07511 -86.10863 631.65211
5615.0000 -89.47847 -86.64216 2.83630 2.06256 -86.24796 642.26559
5620.0000 -88.88207 -86.86819 2.01388 2.02062 -86.71365 574.46399
5625.0000 -88.98702 -86.57631 2.41072 2.06776 -86.19022 648.27589
5630.0000 -89.70733 -86.76552 2.94180 2.00612 -86.87459 569.04745
5635.0000 -89.45061 -86.03691 3.41370 2.05801 -86.29843 625.35168
5640.0000 -89.65983 -86.82462 2.83521 2.05725 -86.30687 626.81613
5645.0000 -89.27967 -86.15011 3.12956 2.05608 -86.31989 609.75902
5650.0000 -87.84517 -85.08632 2.75885 2.08518 -85.99683 662.81288
5655.0000 -88.65330 -85.56161 3.09169 2.14081 -85.37908 671.99018
5660.0000 -88.80445 -85.67867 3.12578 2.10357 -85.79260 666.45696
5665.0000 -89.41928 -85.97571 3.44358 2.12311 -85.57565 706.73323
5670.0000 -89.22441 -84.94649 4.27793 2.19305 -84.79902 758.12810
5675.0000 -88.83463 -86.40251 2.43211 2.07323 -86.12950 639.33798
5680.0000 -89.54653 -86.77709 2.76944 2.05359 -86.34757 630.60731
5685.0000 -89.23989 -85.67389 3.56601 2.09258 -85.91467 672.90134
5690.0000 -88.63619 -86.28654 2.34965 2.12005 -85.60964 672.26023
5695.0000 -88.91075 -86.42553 2.48522 2.06423 -86.22943 628.06307
5700.0000 -89.48496 -86.39040 3.09456 2.04215 -86.47452 616.61533
5705.0000 -90.19062 -86.22082 3.96980 2.03437 -86.56096 623.78007
5710.0000 -89.05750 -85.04412 4.01338 2.11605 -85.65404 695.73371
5715.0000 -88.92498 -85.31251 3.61247 2.16028 -85.16289 726.29221
5720.0000 -88.58635 -84.38552 4.20083 2.15960 -85.17044 706.77669
5725.0000 -87.92346 -83.78652 4.13694 2.23031 -84.38526 716.76298
5730.0000 -87.34977 -83.27926 4.07051 2.33835 -83.18570 846.86367
5735.0000 -88.77658 -85.08211 3.69447 2.22675 -84.42484 789.30609
5740.0000 -88.38995 -84.76766 3.62229 2.18158 -84.92633 711.29813
5745.0000 -88.44038 -85.70906 2.73132 2.13036 -85.49515 676.44850
5750.0000 -88.08781 -85.05296 3.03485 2.09310 -85.90880 647.92479
FREEZING PROCESS: loop number 24 T-loop= 653.00000000000000
main_MD> interactions number 24 at Temperature= 653.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.23526 -1.90116 2.26140
force_rgl> df(natom) -1.54796 -0.43698 -3.10045
5755.0000 -88.94640 -85.20086 3.74554 2.08341 -86.01645 666.44522
5760.0000 -88.79344 -85.55776 3.23569 2.12909 -85.50925 673.04714
5765.0000 -88.22500 -85.48992 2.73508 2.15130 -85.26259 699.00826
5770.0000 -89.20597 -85.60330 3.60267 2.07811 -86.07526 636.56654
5775.0000 -89.00147 -86.24290 2.75857 2.14165 -85.36981 707.47663
5780.0000 -89.13040 -86.78065 2.34975 2.03136 -86.59441 608.46875
5785.0000 -89.15760 -86.75751 2.40008 2.02809 -86.63069 592.13658
5790.0000 -88.73361 -85.48354 3.25007 2.05250 -86.35960 609.60679
5795.0000 -89.16545 -86.04267 3.12278 2.07190 -86.14426 619.53826
5800.0000 -89.28819 -85.57201 3.71618 2.10643 -85.76086 660.40488
5805.0000 -88.94477 -86.25701 2.68776 2.07306 -86.13134 621.64259
5810.0000 -88.19631 -85.03632 3.15999 2.12302 -85.57663 691.34775
5815.0000 -88.42970 -85.15008 3.27962 2.13985 -85.38971 667.42039
5820.0000 -89.53880 -85.91772 3.62108 2.11366 -85.68055 690.59712
5825.0000 -89.48571 -86.54331 2.94240 2.08674 -85.97952 645.59705
5830.0000 -89.80592 -87.00118 2.80474 2.03262 -86.58034 610.18588
5835.0000 -88.28723 -85.44043 2.84680 2.01234 -86.80553 572.92348
5840.0000 -89.79357 -86.22453 3.56903 2.12836 -85.51730 689.48839
5845.0000 -88.85989 -85.69705 3.16284 2.10847 -85.73823 671.40528
5850.0000 -89.03632 -85.86798 3.16833 2.10031 -85.82879 657.58347
5855.0000 -88.57913 -85.43845 3.14069 2.10610 -85.76451 659.96102
5860.0000 -88.11336 -84.86338 3.24998 2.17886 -84.95654 708.96494
5865.0000 -89.25316 -85.94004 3.31312 2.10300 -85.79887 666.13804
5870.0000 -89.08083 -86.18430 2.89653 2.06083 -86.26716 619.79229
5875.0000 -88.63985 -85.15250 3.48735 2.12591 -85.54450 680.63557
5880.0000 -89.14217 -85.54500 3.59717 2.14651 -85.31575 713.34405
5885.0000 -88.51184 -84.94345 3.56839 2.15706 -85.19861 708.61319
5890.0000 -88.09922 -84.70814 3.39108 2.14994 -85.27774 704.88236
5895.0000 -89.61052 -87.29495 2.31557 2.07213 -86.14171 619.07971
5900.0000 -89.75850 -86.52021 3.23829 2.01814 -86.74116 554.23409
5905.0000 -89.66495 -85.90611 3.75884 2.03949 -86.50416 583.57723
5910.0000 -88.96006 -86.12768 2.83238 2.09993 -85.83300 657.01688
5915.0000 -88.61771 -85.94440 2.67331 2.09243 -85.91623 651.47671
5920.0000 -89.56894 -86.29643 3.27252 2.08781 -85.96760 620.95058
5925.0000 -89.92154 -86.59214 3.32940 2.03991 -86.49946 598.34264
5930.0000 -89.17264 -86.87286 2.29978 2.00255 -86.91431 581.40153
5935.0000 -89.84397 -86.20452 3.63945 2.06266 -86.24678 610.60266
5940.0000 -90.20420 -86.58892 3.61528 2.04239 -86.47195 605.46348
5945.0000 -89.25510 -85.74053 3.51458 2.04538 -86.43871 610.84214
5950.0000 -89.91361 -86.08385 3.82976 2.07567 -86.10241 650.81896
5955.0000 -88.62387 -85.83934 2.78453 2.09195 -85.92162 672.53330
5960.0000 -88.52310 -85.69963 2.82347 2.11330 -85.68460 649.83934
5965.0000 -89.24817 -86.04641 3.20176 2.09120 -85.92998 664.82372
5970.0000 -89.64096 -86.60696 3.03400 2.04446 -86.44895 607.35105
5975.0000 -88.84430 -86.05873 2.78557 2.05716 -86.30796 593.99230
5980.0000 -89.30140 -86.07709 3.22432 2.05453 -86.33713 606.72278
5985.0000 -88.90847 -85.82169 3.08678 2.07734 -86.08388 629.91947
5990.0000 -88.75652 -85.30442 3.45210 2.15819 -85.18609 710.95565
5995.0000 -88.32839 -85.01432 3.31406 2.16881 -85.06823 715.39977
6000.0000 -88.81787 -85.86429 2.95358 2.14988 -85.27836 695.03793
FREEZING PROCESS: loop number 25 T-loop= 628.00000000000000
main_MD> interactions number 25 at Temperature= 628.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.46736 -0.84874 0.76292
force_rgl> df(natom) 0.37525 0.79018 -2.69672
6005.0000 -89.56631 -86.29015 3.27616 2.09112 -85.93083 659.63122
6010.0000 -89.47317 -86.77714 2.69603 2.02375 -86.67883 570.05332
6015.0000 -90.34992 -87.27313 3.07678 1.95756 -87.41380 544.28097
6020.0000 -89.98030 -87.94607 2.03423 1.93340 -87.68207 483.43122
6025.0000 -89.80498 -86.52427 3.28071 2.00365 -86.90207 579.82339
6030.0000 -89.18086 -86.84898 2.33187 2.01039 -86.82721 587.75657
6035.0000 -87.79629 -85.02053 2.77576 2.08875 -85.95717 650.94795
6040.0000 -88.76860 -85.69851 3.07009 2.14092 -85.37790 672.79240
6045.0000 -89.19780 -86.46566 2.73214 2.12345 -85.57182 631.69138
6050.0000 -89.34353 -85.92635 3.41718 2.04314 -86.46362 564.99652
6055.0000 -89.30078 -86.63283 2.66796 2.07568 -86.10225 621.05228
6060.0000 -89.23743 -86.33565 2.90179 2.05896 -86.28794 609.61024
6065.0000 -89.18844 -86.08705 3.10139 2.03017 -86.60764 576.40307
6070.0000 -88.90236 -86.01197 2.89039 2.11873 -85.62430 660.23479
6075.0000 -88.99475 -85.34443 3.65032 2.11089 -85.71133 649.52473
6080.0000 -88.96257 -86.06469 2.89789 2.12870 -85.51354 678.37536
6085.0000 -89.54118 -86.34916 3.19201 2.02725 -86.64001 579.21838
6090.0000 -88.47186 -85.30042 3.17144 2.08187 -86.03359 656.54985
6095.0000 -89.05064 -85.86038 3.19026 2.11225 -85.69618 646.22524
6100.0000 -88.80349 -86.26362 2.53988 2.02953 -86.61465 556.19028
6105.0000 -89.39890 -86.57725 2.82165 2.06212 -86.25282 611.85908
6110.0000 -89.44936 -86.13520 3.31416 2.03801 -86.52052 570.81251
6115.0000 -88.88446 -86.08188 2.80258 2.03790 -86.52174 613.24861
6120.0000 -89.16523 -86.47556 2.68967 2.05865 -86.29133 614.31072
6125.0000 -88.86240 -85.97073 2.89167 2.07694 -86.08825 655.18370
6130.0000 -88.95745 -85.44875 3.50870 2.06546 -86.21575 640.02969
6135.0000 -89.14364 -85.86142 3.28222 2.10851 -85.73778 627.90147
6140.0000 -88.61368 -85.45028 3.16340 2.09136 -85.92820 648.05716
6145.0000 -88.44502 -85.28319 3.16183 2.12172 -85.59101 664.83881
6150.0000 -89.28432 -85.93643 3.34790 2.12153 -85.59311 664.60767
6155.0000 -89.10549 -86.10441 3.00108 2.05840 -86.29411 610.03931
6160.0000 -89.47667 -86.37149 3.10518 2.04627 -86.42884 612.72453
6165.0000 -89.92869 -87.13499 2.79370 2.01330 -86.79488 596.30825
6170.0000 -88.58085 -85.85965 2.72120 2.07048 -86.16004 644.16070
6175.0000 -89.37949 -86.33905 3.04044 2.08280 -86.02321 617.21961
6180.0000 -89.22421 -86.15102 3.07319 2.06856 -86.18130 634.30186
6185.0000 -89.27104 -86.04126 3.22978 2.05166 -86.36902 652.04423
6190.0000 -89.62831 -86.96500 2.66330 2.02459 -86.66960 591.90168
6195.0000 -89.43552 -86.42521 3.01031 2.00982 -86.83352 592.00781
6200.0000 -88.92929 -86.70304 2.22625 2.08365 -86.01379 632.85769
6205.0000 -89.59075 -86.52139 3.06936 2.07884 -86.06713 652.60208
6210.0000 -89.16527 -86.31614 2.84912 2.02361 -86.68047 609.64083
6215.0000 -89.06698 -86.14144 2.92554 2.07807 -86.07569 607.28648
6220.0000 -89.60654 -87.06109 2.54546 2.00598 -86.87622 564.82018
6225.0000 -87.93034 -84.52640 3.40394 2.08958 -85.94797 654.46730
6230.0000 -89.38602 -84.77756 4.60846 2.23068 -84.38122 767.11784
6235.0000 -89.13700 -85.63520 3.50181 2.12432 -85.56219 691.62919
6240.0000 -87.71129 -84.96482 2.74646 2.13686 -85.42291 650.85649
6245.0000 -88.66911 -85.49155 3.17756 2.18397 -84.89983 716.93091
6250.0000 -88.38179 -85.44272 2.93907 2.16197 -85.14411 665.27964
FREEZING PROCESS: loop number 26 T-loop= 603.00000000000000
main_MD> interactions number 26 at Temperature= 603.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.54641 -1.44131 -0.95198
force_rgl> df(natom) 0.09095 -3.29654 1.28903
6255.0000 -88.32642 -85.03061 3.29581 2.14179 -85.36822 725.27695
6260.0000 -89.52492 -86.25421 3.27072 2.08910 -85.95329 649.98001
6265.0000 -89.13354 -86.14867 2.98486 2.07019 -86.16319 611.50040
6270.0000 -88.78016 -86.49609 2.28407 2.07645 -86.09372 630.74364
6275.0000 -88.85732 -86.02805 2.82927 2.07530 -86.10643 607.15002
6280.0000 -88.57505 -85.69455 2.88050 2.11157 -85.70370 623.98954
6285.0000 -88.94960 -86.12686 2.82274 2.08156 -86.03698 614.00156
6290.0000 -88.73927 -86.12148 2.61779 2.10268 -85.80242 633.49865
6295.0000 -89.00625 -86.76960 2.23664 2.02412 -86.67482 542.08468
6300.0000 -89.80213 -86.30803 3.49410 2.02362 -86.68038 558.35575
6305.0000 -89.12382 -86.19695 2.92687 2.06692 -86.19953 627.52412
6310.0000 -89.37169 -86.13778 3.23391 2.04142 -86.48270 615.62398
6315.0000 -89.45500 -86.59135 2.86365 2.02178 -86.70077 589.93770
6320.0000 -89.48413 -86.56290 2.92123 2.01803 -86.74243 576.71547
6325.0000 -89.85085 -86.70867 3.14218 2.02314 -86.68566 584.42066
6330.0000 -90.16147 -86.75405 3.40742 2.03333 -86.57255 591.19944
6335.0000 -90.22353 -87.09770 3.12583 2.00068 -86.93500 566.27965
6340.0000 -89.50402 -87.01847 2.48555 1.98713 -87.08553 572.90966
6345.0000 -89.56430 -86.93297 2.63134 1.96142 -87.37096 550.57788
6350.0000 -89.42396 -86.22850 3.19546 2.05672 -86.31283 630.38179
6355.0000 -88.21789 -85.53572 2.68217 2.09467 -85.89144 636.96939
6360.0000 -88.31800 -85.43535 2.88264 2.13666 -85.42514 665.95603
6365.0000 -88.95167 -86.04150 2.91016 2.10839 -85.73911 606.87902
6370.0000 -89.14601 -85.95490 3.19111 2.10754 -85.74854 646.43532
6375.0000 -89.56121 -87.10717 2.45404 2.05977 -86.27889 631.72982
6380.0000 -89.74441 -87.18051 2.56390 2.01557 -86.76972 586.18556
6385.0000 -89.04050 -86.57580 2.46470 2.00128 -86.92834 559.23754
6390.0000 -88.74574 -86.43835 2.30739 2.04435 -86.45013 577.67270
6395.0000 -89.13807 -86.51358 2.62450 2.02835 -86.62777 613.08540
6400.0000 -89.52120 -86.38925 3.13195 2.08385 -86.01157 631.31985
6405.0000 -89.98048 -86.48117 3.49931 2.01791 -86.74372 579.41269
6410.0000 -89.27220 -85.93865 3.33355 2.07400 -86.12095 604.49730
6415.0000 -89.96234 -87.00494 2.95740 2.04345 -86.46014 606.16213
6420.0000 -89.23113 -86.65965 2.57148 2.00237 -86.91632 562.02467
6425.0000 -90.07303 -86.94047 3.13255 2.03584 -86.54460 611.45036
6430.0000 -89.35471 -86.84158 2.51313 2.03010 -86.60839 593.03682
6435.0000 -88.51792 -85.26211 3.25580 2.10932 -85.72870 655.62238
6440.0000 -88.15012 -85.43516 2.71496 2.12061 -85.60338 666.92177
6445.0000 -88.40785 -84.17293 4.23492 2.20758 -84.63774 751.46306
6450.0000 -88.93869 -85.95164 2.98705 2.16202 -85.14353 698.58369
6455.0000 -89.78872 -86.09960 3.68912 2.07788 -86.07779 614.54291
6460.0000 -89.75912 -86.57204 3.18707 2.03075 -86.60116 607.50329
6465.0000 -89.81596 -86.86426 2.95170 2.00645 -86.87099 604.10621
6470.0000 -88.87375 -85.43664 3.43712 2.08829 -85.96221 648.41818
6475.0000 -89.59336 -86.50005 3.09331 2.06884 -86.17823 648.69465
6480.0000 -89.38116 -87.01114 2.37001 2.00165 -86.92426 563.89026
6485.0000 -89.47994 -86.49430 2.98564 2.00403 -86.89787 576.06747
6490.0000 -89.68314 -86.55635 3.12679 2.08183 -86.03399 667.21375
6495.0000 -89.23727 -86.60821 2.62906 2.02111 -86.70818 615.44592
6500.0000 -89.42020 -86.51550 2.90470 2.02877 -86.62315 577.25735
FREEZING PROCESS: loop number 27 T-loop= 578.00000000000000
main_MD> interactions number 27 at Temperature= 578.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.02890 -1.17403 1.66623
force_rgl> df(natom) 0.48258 0.92738 -1.63098
6505.0000 -89.97063 -87.67749 2.29314 1.98643 -87.09323 546.14955
6510.0000 -89.77069 -87.01049 2.76021 1.97492 -87.22105 557.43054
6515.0000 -89.30578 -86.36922 2.93656 1.99136 -87.03851 556.69835
6520.0000 -89.99126 -87.53300 2.45826 2.00139 -86.92717 596.93717
6525.0000 -89.78889 -86.28011 3.50878 2.02010 -86.71943 586.66931
6530.0000 -90.19230 -88.00395 2.18835 1.94656 -87.53593 532.27893
6535.0000 -89.70801 -86.91690 2.79111 1.95620 -87.42899 530.57999
6540.0000 -89.86845 -87.44067 2.42778 2.00238 -86.91616 568.45698
6545.0000 -89.87743 -86.65919 3.21824 2.00815 -86.85208 570.52218
6550.0000 -89.25566 -86.39273 2.86293 2.02031 -86.71705 589.40683
6555.0000 -89.18747 -86.73713 2.45034 2.03995 -86.49904 601.13239
6560.0000 -89.61366 -87.60186 2.01180 1.96136 -87.37168 514.90744
6565.0000 -88.86100 -86.77070 2.09029 1.97742 -87.19327 504.31391
6570.0000 -88.70106 -86.45416 2.24690 2.03865 -86.51344 598.18922
6575.0000 -89.61854 -86.89644 2.72210 2.00749 -86.85947 572.11477
6580.0000 -89.49060 -87.01645 2.47415 2.00811 -86.85258 558.49079
6585.0000 -89.85976 -87.48992 2.36984 1.97892 -87.17664 545.21706
6590.0000 -89.55168 -86.53945 3.01223 2.02346 -86.68215 579.39109
6595.0000 -89.45329 -86.85908 2.59421 2.04402 -86.45380 604.52455
6600.0000 -89.65430 -87.02400 2.63030 2.00987 -86.83296 584.41330
6605.0000 -89.78151 -86.85113 2.93038 2.03944 -86.50462 620.85808
6610.0000 -89.19291 -86.86129 2.33162 2.01766 -86.74654 568.55572
6615.0000 -89.87947 -87.67138 2.20809 1.96440 -87.33784 523.15722
6620.0000 -89.32647 -87.34391 1.98256 1.90162 -88.03501 467.16604
6625.0000 -89.09061 -86.57059 2.52002 2.01251 -86.80373 580.48628
6630.0000 -89.05816 -86.52885 2.52931 2.06324 -86.24035 614.66740
6635.0000 -89.67559 -86.98108 2.69451 2.00068 -86.93503 562.82024
6640.0000 -88.68085 -86.79283 1.88802 2.05332 -86.35056 604.51492
6645.0000 -89.97805 -87.28194 2.69611 2.00090 -86.93261 548.39020
6650.0000 -89.19523 -86.97585 2.21938 2.01229 -86.80613 567.66648
6655.0000 -89.07497 -86.88036 2.19460 1.97448 -87.22601 560.23665
6660.0000 -89.10397 -86.22455 2.87942 2.04247 -86.47104 581.31530
6665.0000 -88.87516 -85.39704 3.47811 2.12567 -85.54716 655.97525
6670.0000 -89.25600 -86.15188 3.10412 2.10164 -85.81398 636.29435
6675.0000 -89.57967 -85.98879 3.59088 2.07103 -86.15388 631.98042
6680.0000 -89.97358 -86.70564 3.26794 2.04037 -86.49432 604.70857
6685.0000 -90.01649 -87.20400 2.81249 2.00534 -86.88331 547.62269
6690.0000 -89.57704 -87.00091 2.57613 1.97699 -87.19811 531.02726
6695.0000 -89.61568 -86.79633 2.81935 1.99810 -86.96370 575.78646
6700.0000 -89.98885 -87.13263 2.85623 2.00731 -86.86142 585.77471
6705.0000 -89.46133 -86.20750 3.25382 1.98978 -87.05603 585.10396
6710.0000 -89.46426 -86.76721 2.69705 2.01432 -86.78363 585.82055
6715.0000 -89.30631 -86.91721 2.38910 2.01878 -86.73407 571.48113
6720.0000 -89.69606 -86.87215 2.82391 1.99258 -87.02499 551.97297
6725.0000 -89.99127 -87.09740 2.89387 2.00041 -86.93800 564.06012
6730.0000 -89.88129 -86.84878 3.03251 1.98194 -87.14316 556.93354
6735.0000 -89.18905 -86.85622 2.33283 2.00753 -86.85895 554.08881
6740.0000 -90.23688 -87.14971 3.08717 2.00614 -86.87443 584.20108
6745.0000 -89.73715 -87.21189 2.52526 1.99980 -86.94481 571.03652
6750.0000 -89.94303 -87.04379 2.89924 1.98772 -87.07898 576.07412
FREEZING PROCESS: loop number 28 T-loop= 553.00000000000000
main_MD> interactions number 28 at Temperature= 553.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.41774 1.76179 -1.31558
force_rgl> df(natom) 2.14868 0.55222 -0.87094
6755.0000 -90.12102 -87.22882 2.89221 1.96872 -87.28990 541.16226
6760.0000 -89.56510 -86.74820 2.81690 2.01194 -86.81007 587.72809
6765.0000 -89.66162 -86.11800 3.54362 2.05036 -86.38341 631.37738
6770.0000 -90.45873 -87.70407 2.75466 2.01236 -86.80539 577.81892
6775.0000 -89.51063 -87.20053 2.31010 1.95853 -87.40306 529.15398
6780.0000 -90.24718 -86.94488 3.30230 1.99508 -86.99721 587.09583
6785.0000 -89.13275 -86.54983 2.58292 2.00315 -86.90762 585.40569
6790.0000 -88.26376 -84.79270 3.47106 2.11768 -85.63589 685.77869
6795.0000 -88.95012 -86.18895 2.76117 2.14909 -85.28714 709.65615
6800.0000 -88.58306 -86.17398 2.40909 2.06776 -86.19021 618.84859
6805.0000 -89.44332 -87.02827 2.41505 2.05237 -86.36114 613.22062
6810.0000 -89.18247 -87.00327 2.17919 1.97202 -87.25329 524.29960
6815.0000 -89.11985 -86.46820 2.65165 2.02759 -86.63625 581.95466
6820.0000 -89.54649 -86.78801 2.75848 2.02800 -86.63164 590.06411
6825.0000 -88.94427 -86.71885 2.22542 2.01806 -86.74204 581.08042
6830.0000 -90.00953 -87.25982 2.74971 1.97469 -87.22368 531.95445
6835.0000 -89.96571 -87.37615 2.58956 1.96235 -87.36069 527.26154
6840.0000 -89.73730 -86.96737 2.76993 1.99993 -86.94338 533.95625
6845.0000 -89.40016 -86.91807 2.48209 1.98048 -87.15938 529.02300
6850.0000 -90.16046 -87.92590 2.23455 1.94081 -87.59978 511.29934
6855.0000 -90.21311 -87.32127 2.89184 1.89891 -88.06509 495.62416
6860.0000 -89.24383 -86.84272 2.40111 1.96571 -87.32339 555.45937
6865.0000 -88.99931 -86.90313 2.09618 1.99159 -87.03595 575.91272
6870.0000 -89.56864 -86.58845 2.98019 2.00223 -86.91781 547.36810
6875.0000 -89.73200 -86.91151 2.82049 1.99390 -87.01036 557.04983
6880.0000 -89.57101 -86.99143 2.57958 1.99983 -86.94447 586.31748
6885.0000 -89.90152 -87.11173 2.78979 1.98562 -87.10231 539.53773
6890.0000 -89.49008 -87.41022 2.07986 1.95089 -87.48789 539.69585
6895.0000 -90.28987 -88.16053 2.12934 1.86568 -88.43406 450.85592
6900.0000 -90.55999 -88.21241 2.34758 1.88686 -88.19887 457.37892
6905.0000 -89.61728 -87.07905 2.53823 1.92736 -87.74912 501.07920
6910.0000 -89.76767 -87.18866 2.57901 1.95748 -87.41469 489.65152
6915.0000 -89.38055 -86.86502 2.51553 1.98141 -87.14901 545.42204
6920.0000 -90.11492 -87.26360 2.85132 1.98310 -87.13026 533.95366
6925.0000 -89.67574 -87.31758 2.35816 1.97067 -87.26825 530.74136
6930.0000 -89.52407 -86.59319 2.93087 1.99088 -87.04383 572.27107
6935.0000 -89.30995 -86.63460 2.67536 1.99483 -86.99999 559.17777
6940.0000 -89.59782 -87.02866 2.56917 1.99080 -87.04477 523.03931
6945.0000 -90.08952 -87.37239 2.71713 2.00171 -86.92363 559.46623
6950.0000 -89.51050 -87.32008 2.19042 1.98004 -87.16423 546.52490
6955.0000 -89.30928 -86.57211 2.73717 1.97853 -87.18098 565.42751
6960.0000 -89.34580 -86.40775 2.93805 2.03203 -86.58700 603.55371
6965.0000 -89.11738 -85.91483 3.20255 2.09182 -85.92303 610.88903
6970.0000 -90.03325 -88.04233 1.99092 1.98655 -87.09198 554.60666
6975.0000 -89.87432 -87.28098 2.59335 1.93259 -87.69105 511.11384
6980.0000 -89.55600 -87.64381 1.91220 1.94740 -87.52670 522.89498
6985.0000 -89.98386 -87.23710 2.74676 1.99296 -87.02082 564.29342
6990.0000 -90.74313 -87.84666 2.89647 1.97949 -87.17037 577.11055
6995.0000 -90.03234 -87.48235 2.54999 1.93973 -87.61179 528.45894
7000.0000 -89.96834 -88.15853 1.80981 1.92030 -87.82754 501.55421
FREEZING PROCESS: loop number 29 T-loop= 528.00000000000000
main_MD> interactions number 29 at Temperature= 528.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.56246 -1.26776 0.93698
force_rgl> df(natom) -1.51111 3.54293 1.12539
7005.0000 -89.75314 -87.08842 2.66472 1.94932 -87.50535 521.10399
7010.0000 -89.55171 -87.40121 2.15050 1.98869 -87.06821 551.05002
7015.0000 -90.04828 -87.37949 2.66879 1.95826 -87.40604 513.15598
7020.0000 -89.60497 -87.24417 2.36080 1.97298 -87.24258 545.04646
7025.0000 -89.26242 -87.06907 2.19334 2.01614 -86.76343 596.76146
7030.0000 -90.47808 -87.74781 2.73027 1.95082 -87.48869 520.73941
7035.0000 -90.08422 -87.97104 2.11318 1.92126 -87.81690 509.76168
7040.0000 -89.74852 -87.82917 1.91935 1.89929 -88.06081 444.14075
7045.0000 -89.98580 -87.52356 2.46224 1.93426 -87.67252 510.08569
7050.0000 -89.60691 -86.98637 2.62054 1.95654 -87.42511 517.87180
7055.0000 -90.13718 -87.75392 2.38326 1.95461 -87.44661 517.59099
7060.0000 -89.84426 -87.64986 2.19441 1.92947 -87.72575 487.50640
7065.0000 -89.57095 -86.96709 2.60386 1.97760 -87.19136 534.85155
7070.0000 -90.01518 -87.36562 2.64956 1.99818 -86.96282 549.71602
7075.0000 -89.50611 -86.95862 2.54749 2.00051 -86.93692 562.83953
7080.0000 -90.05375 -87.56882 2.48493 1.98218 -87.14050 538.54999
7085.0000 -89.95709 -87.42176 2.53534 1.97297 -87.24273 549.33595
7090.0000 -90.11650 -87.25134 2.86516 1.97749 -87.19256 537.21434
7095.0000 -90.28536 -87.75834 2.52702 1.97864 -87.17976 549.48170
7100.0000 -89.78127 -87.82001 1.96126 1.93457 -87.66907 519.40168
7105.0000 -90.96659 -87.96742 2.99917 1.93791 -87.63204 539.32703
7110.0000 -90.32960 -88.00665 2.32295 1.91754 -87.85820 526.77972
7115.0000 -90.02517 -87.51591 2.50926 1.95560 -87.43561 549.34657
7120.0000 -90.24325 -87.79115 2.45210 1.91708 -87.86330 498.78679
7125.0000 -89.91017 -87.38500 2.52517 1.93675 -87.64486 503.23386
7130.0000 -89.66858 -87.08554 2.58304 1.96026 -87.38389 504.08736
7135.0000 -89.80387 -87.48413 2.31973 1.96932 -87.28327 526.52834
7140.0000 -89.21117 -86.71531 2.49586 2.01129 -86.81721 568.43471
7145.0000 -89.74758 -87.04858 2.69900 2.03386 -86.56662 582.98244
7150.0000 -89.69941 -87.18042 2.51898 2.01710 -86.75267 588.66644
7155.0000 -89.87189 -87.30482 2.56707 1.98675 -87.08968 575.24896
7160.0000 -89.65784 -87.10828 2.54956 1.96341 -87.34890 537.52563
7165.0000 -91.05548 -88.07094 2.98454 1.94753 -87.52516 513.94838
7170.0000 -89.97411 -86.91219 3.06192 1.94406 -87.56378 524.62930
7175.0000 -89.26227 -87.16354 2.09873 1.94767 -87.52366 523.30731
7180.0000 -90.83320 -87.70170 3.13150 1.95372 -87.45646 555.58362
7185.0000 -90.10695 -88.12618 1.98077 1.92386 -87.78809 524.18519
7190.0000 -90.09125 -87.08013 3.01112 1.94122 -87.59531 538.42145
7195.0000 -89.44973 -86.80580 2.64393 1.99932 -86.95019 566.53866
7200.0000 -90.28875 -87.66396 2.62479 1.95903 -87.39748 519.83826
7205.0000 -89.07878 -87.08195 1.99683 1.97081 -87.26672 505.94726
7210.0000 -89.90784 -86.84863 3.05921 1.94465 -87.55721 531.54566
7215.0000 -89.64330 -86.84660 2.79670 2.01967 -86.72424 580.80003
7220.0000 -90.08376 -87.39129 2.69247 1.98862 -87.06894 556.44493
7225.0000 -90.43759 -87.53641 2.90118 1.98376 -87.12287 551.17833
7230.0000 -90.03390 -87.69551 2.33840 1.94159 -87.59111 531.76598
7235.0000 -89.71565 -87.26861 2.44704 1.94273 -87.57849 499.34189
7240.0000 -89.01539 -86.49913 2.51626 2.01140 -86.81604 538.15028
7245.0000 -89.34220 -86.33665 3.00555 2.04898 -86.39875 566.82568
7250.0000 -89.96491 -87.19674 2.76817 2.00994 -86.83220 579.34474
FREEZING PROCESS: loop number 30 T-loop= 503.00000000000000
main_MD> interactions number 30 at Temperature= 503.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.37688 -1.66218 1.09753
force_rgl> df(natom) -0.73561 -3.55594 2.07245
7255.0000 -89.79077 -87.13131 2.65946 1.94733 -87.52747 534.45153
7260.0000 -90.36082 -88.01030 2.35051 1.94246 -87.58155 500.28634
7265.0000 -89.40180 -87.30534 2.09646 1.92438 -87.78223 487.71791
7270.0000 -89.97987 -87.26638 2.71348 1.94179 -87.58894 532.52375
7275.0000 -89.94114 -87.80162 2.13952 1.96932 -87.28329 536.56996
7280.0000 -89.83079 -87.30944 2.52135 1.94477 -87.55585 523.37459
7285.0000 -90.23466 -87.49024 2.74443 1.96552 -87.32548 528.57346
7290.0000 -90.89459 -88.66031 2.23428 1.91502 -87.88624 505.41478
7295.0000 -90.18695 -88.00160 2.18535 1.88545 -88.21456 479.55163
7300.0000 -91.33182 -88.88937 2.44245 1.85106 -88.59639 453.06403
7305.0000 -90.39786 -87.73759 2.66027 1.85941 -88.50364 471.85672
7310.0000 -90.16853 -87.82211 2.34642 1.92091 -87.82084 531.72215
7315.0000 -90.29488 -87.51252 2.78236 1.95785 -87.41061 549.18349
7320.0000 -90.15553 -87.63532 2.52021 1.96092 -87.37658 559.00266
7325.0000 -89.95467 -87.53046 2.42422 1.93099 -87.70883 548.70027
7330.0000 -90.51100 -87.62764 2.88336 1.91821 -87.85077 505.83599
7335.0000 -90.46720 -88.02897 2.43822 1.92070 -87.82312 507.44561
7340.0000 -90.62817 -87.75758 2.87059 1.91907 -87.84126 496.01256
7345.0000 -90.12588 -87.67198 2.45389 1.90189 -88.03203 478.31583
7350.0000 -89.39017 -86.83368 2.55649 1.95348 -87.45914 512.05477
7355.0000 -88.98271 -86.74820 2.23451 1.99432 -87.00568 557.55289
7360.0000 -89.77862 -87.70817 2.07045 2.02026 -86.71768 561.16663
7365.0000 -90.11889 -87.88509 2.23380 1.91083 -87.93270 478.12586
7370.0000 -89.37192 -87.05741 2.31451 1.94184 -87.58840 492.44326
7375.0000 -90.13595 -87.25436 2.88159 1.96770 -87.30124 534.28914
7380.0000 -89.95139 -87.64041 2.31098 1.96340 -87.34898 531.99687
7385.0000 -89.76037 -86.86885 2.89152 1.98158 -87.14714 545.38657
7390.0000 -89.43168 -86.51212 2.91956 2.00633 -86.87230 568.06978
7395.0000 -90.51314 -87.65734 2.85580 2.00848 -86.84843 555.94306
7400.0000 -89.69024 -87.02205 2.66820 1.98297 -87.13166 542.03308
7405.0000 -89.93685 -87.88706 2.04979 1.95437 -87.44927 523.67745
7410.0000 -90.09662 -87.84054 2.25609 1.93700 -87.64216 493.38394
7415.0000 -89.11799 -86.93376 2.18424 1.97073 -87.26758 519.63994
7420.0000 -90.86418 -87.35567 3.50851 1.97499 -87.22031 528.72178
7425.0000 -90.42762 -87.91530 2.51232 1.91174 -87.92260 493.79777
7430.0000 -90.16563 -87.54899 2.61664 1.93158 -87.70229 518.45633
7435.0000 -90.25351 -87.40857 2.84495 1.93327 -87.68357 510.66500
7440.0000 -90.30455 -87.94348 2.36107 1.92968 -87.72337 531.43853
7445.0000 -90.48439 -88.13398 2.35041 1.87975 -88.27786 464.57298
7450.0000 -90.09863 -87.77641 2.32223 1.91936 -87.83801 510.27278
7455.0000 -89.98812 -87.73146 2.25666 1.92363 -87.79055 509.11350
7460.0000 -90.35764 -88.58535 1.77229 1.88816 -88.18443 472.16801
7465.0000 -90.68247 -88.50299 2.17948 1.84331 -88.68247 456.81005
7470.0000 -91.05663 -88.87137 2.18526 1.86111 -88.48473 446.90898
7475.0000 -90.82687 -88.70433 2.12254 1.83564 -88.76760 430.54032
7480.0000 -90.38896 -88.19712 2.19184 1.90101 -88.04174 478.60216
7485.0000 -90.59251 -88.57757 2.01494 1.87854 -88.29120 470.74069
7490.0000 -90.53756 -88.67300 1.86455 1.85767 -88.52302 455.32910
7495.0000 -90.57215 -87.89038 2.68177 1.87006 -88.38545 473.45468
7500.0000 -90.51431 -87.86244 2.65187 1.92710 -87.75209 531.30910
FREEZING PROCESS: loop number 31 T-loop= 478.00000000000000
main_MD> interactions number 31 at Temperature= 478.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.19400 0.52268 1.15230
force_rgl> df(natom) 0.59557 0.09135 -1.58972
7505.0000 -90.30063 -87.76114 2.53950 1.90434 -88.00481 452.58755
7510.0000 -90.36985 -87.55517 2.81468 1.92750 -87.74758 506.34542
7515.0000 -89.92528 -87.46185 2.46343 1.95334 -87.46070 537.50585
7520.0000 -90.15809 -87.82953 2.32856 1.91908 -87.84116 475.56475
7525.0000 -90.70378 -88.34396 2.35982 1.89713 -88.08480 463.92269
7530.0000 -90.00422 -87.77691 2.22731 1.88899 -88.17516 459.69864
7535.0000 -89.97406 -87.54435 2.42971 1.96173 -87.36758 553.26858
7540.0000 -90.95116 -88.22347 2.72769 1.96054 -87.38079 535.91353
7545.0000 -90.34714 -88.14511 2.20203 1.88240 -88.24834 463.45440
7550.0000 -90.46048 -88.02639 2.43409 1.89127 -88.14994 484.22833
7555.0000 -90.92985 -88.40795 2.52190 1.89790 -88.07632 480.83116
7560.0000 -90.66778 -88.93643 1.73134 1.83826 -88.73851 440.52242
7565.0000 -90.33877 -88.02498 2.31379 1.86205 -88.47430 474.32856
7570.0000 -90.79399 -88.60366 2.19033 1.88535 -88.21559 488.08440
7575.0000 -90.50579 -88.32083 2.18496 1.86436 -88.44865 446.87494
7580.0000 -90.87102 -88.62344 2.24758 1.85689 -88.53162 446.56641
7585.0000 -90.78298 -88.32377 2.45922 1.86663 -88.42344 450.08242
7590.0000 -90.18316 -88.37278 1.81038 1.85963 -88.50126 441.15092
7595.0000 -90.84042 -88.51360 2.32682 1.87050 -88.38049 450.74946
7600.0000 -90.42782 -88.93286 1.49496 1.83547 -88.76947 426.76583
7605.0000 -90.44301 -88.63318 1.80983 1.84411 -88.67351 444.11160
7610.0000 -90.44546 -88.58837 1.85709 1.85438 -88.55957 439.17623
7615.0000 -90.38359 -88.02522 2.35837 1.86491 -88.44259 441.88179
7620.0000 -90.62321 -88.41158 2.21163 1.86398 -88.45287 453.66702
7625.0000 -90.80606 -88.51396 2.29209 1.88514 -88.21796 477.68154
7630.0000 -90.67658 -88.40597 2.27061 1.88510 -88.21846 475.76386
7635.0000 -91.26402 -89.12952 2.13450 1.82675 -88.86636 414.72709
7640.0000 -90.71136 -88.13952 2.57184 1.84270 -88.68923 428.82641
7645.0000 -90.34199 -88.30220 2.03978 1.89767 -88.07884 478.86460
7650.0000 -90.74211 -88.70106 2.04105 1.86379 -88.45508 458.11303
7655.0000 -90.87310 -88.85504 2.01806 1.84053 -88.71331 446.40862
7660.0000 -90.01420 -87.83560 2.17861 1.84748 -88.63617 451.72061
7665.0000 -90.75099 -88.52197 2.22902 1.91532 -87.88284 527.02830
7670.0000 -90.16218 -87.82753 2.33465 1.90075 -88.04459 472.13237
7675.0000 -90.23132 -87.66007 2.57125 1.93226 -87.69481 482.67668
7680.0000 -90.88534 -88.99985 1.88549 1.90618 -87.98437 488.82889
7685.0000 -90.13887 -87.85053 2.28835 1.87081 -88.37712 449.09558
7690.0000 -89.77511 -87.63106 2.14405 1.96436 -87.33829 530.33641
7695.0000 -89.83282 -87.78475 2.04807 1.93634 -87.64948 482.62326
7700.0000 -90.54711 -88.00438 2.54273 1.89803 -88.07483 472.02623
7705.0000 -89.79534 -87.36233 2.43301 1.94472 -87.55644 510.51634
7710.0000 -90.31132 -88.11822 2.19310 1.94416 -87.56265 495.74413
7715.0000 -90.78050 -88.28103 2.49947 1.88062 -88.26814 466.25507
7720.0000 -90.13730 -87.90210 2.23520 1.93884 -87.62170 523.08025
7725.0000 -90.42852 -87.88870 2.53982 1.89869 -88.06748 484.15987
7730.0000 -90.21142 -87.89420 2.31722 1.90779 -87.96647 485.09685
7735.0000 -90.58190 -87.72212 2.85977 1.91575 -87.87812 497.36375
7740.0000 -90.69286 -88.06573 2.62713 1.94413 -87.56295 525.32795
7745.0000 -90.38092 -88.11715 2.26377 1.90423 -88.00595 485.81015
7750.0000 -90.72306 -88.85367 1.86939 1.84458 -88.66829 436.95332
FREEZING PROCESS: loop number 32 T-loop= 453.00000000000000
main_MD> interactions number 32 at Temperature= 453.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.08458 -0.37065 0.43231
force_rgl> df(natom) -1.50943 -2.59921 1.84165
7755.0000 -90.97927 -88.83289 2.14638 1.84378 -88.67717 446.06052
7760.0000 -90.21688 -88.14498 2.07190 1.86034 -88.49336 463.45428
7765.0000 -90.54994 -88.09151 2.45843 1.89880 -88.06629 492.66312
7770.0000 -90.79328 -88.44429 2.34899 1.87091 -88.37600 466.52452
7775.0000 -90.44676 -87.96127 2.48549 1.88301 -88.24157 467.00801
7780.0000 -90.45017 -88.32559 2.12458 1.89474 -88.11143 464.57766
7785.0000 -90.57955 -88.37198 2.20758 1.85979 -88.49947 435.76537
7790.0000 -90.52601 -88.07408 2.45193 1.90053 -88.04712 480.46646
7795.0000 -90.66592 -88.86589 1.80003 1.89611 -88.09611 478.74193
7800.0000 -90.27695 -88.30067 1.97628 1.87495 -88.33107 474.78323
7805.0000 -90.45046 -88.71725 1.73321 1.85353 -88.56894 439.71496
7810.0000 -91.27950 -88.88669 2.39281 1.84775 -88.63310 445.70473
7815.0000 -90.81505 -88.78835 2.02670 1.81395 -89.00840 402.52566
7820.0000 -91.00828 -88.54408 2.46420 1.82662 -88.86775 419.37696
7825.0000 -90.36269 -88.78916 1.57354 1.86155 -88.47987 458.27526
7830.0000 -91.12577 -88.82955 2.29622 1.84909 -88.61827 446.76143
7835.0000 -91.01244 -88.88918 2.12326 1.81450 -89.00229 411.12040
7840.0000 -91.32696 -89.04881 2.27815 1.82312 -88.90665 419.79235
7845.0000 -91.10631 -89.04884 2.05748 1.81250 -89.02454 400.76665
7850.0000 -90.67409 -88.20348 2.47061 1.86060 -88.49042 456.56804
7855.0000 -90.50026 -87.79044 2.70982 1.86372 -88.45586 450.04884
7860.0000 -90.23699 -87.94372 2.29326 1.91532 -87.88289 496.26657
7865.0000 -90.40962 -87.89913 2.51049 1.90113 -88.04044 440.01207
7870.0000 -90.18290 -87.90578 2.27713 1.92708 -87.75230 490.20855
7875.0000 -90.06502 -87.74356 2.32146 1.94347 -87.57028 504.03271
7880.0000 -90.68361 -88.38112 2.30249 1.90741 -87.97069 492.78016
7885.0000 -90.00313 -88.24684 1.75629 1.83477 -88.77727 411.68106
7890.0000 -89.83612 -87.56475 2.27137 1.91334 -87.90485 489.73001
7895.0000 -90.21616 -88.28591 1.93025 1.90769 -87.96763 478.54327
7900.0000 -90.01982 -87.88434 2.13548 1.87175 -88.36663 451.95196
7905.0000 -90.86867 -88.81281 2.05586 1.89046 -88.15887 466.04047
7910.0000 -90.72367 -88.23756 2.48611 1.86944 -88.39228 450.05029
7915.0000 -90.80026 -88.83984 1.96041 1.84735 -88.63756 427.97744
7920.0000 -90.57092 -88.57195 1.99897 1.85179 -88.58829 423.44835
7925.0000 -90.24870 -87.66854 2.58016 1.86857 -88.40201 461.82149
7930.0000 -90.77144 -88.91331 1.85813 1.88569 -88.21189 466.58488
7935.0000 -90.61283 -88.68212 1.93070 1.82222 -88.91663 410.38427
7940.0000 -91.12688 -89.39022 1.73666 1.80000 -89.16339 405.83447
7945.0000 -90.71437 -88.61954 2.09482 1.82062 -88.93438 412.27115
7950.0000 -90.62013 -88.41174 2.20839 1.86097 -88.48630 448.44829
7955.0000 -90.31197 -87.91559 2.39639 1.89124 -88.15023 475.12874
7960.0000 -90.23778 -87.64869 2.58909 1.93088 -87.71010 499.33849
7965.0000 -90.71504 -88.77717 1.93787 1.88992 -88.16485 496.64167
7970.0000 -90.21843 -88.06364 2.15479 1.86077 -88.48857 435.09157
7975.0000 -90.45618 -88.04754 2.40865 1.91917 -87.84015 498.00467
7980.0000 -90.59203 -88.62944 1.96259 1.86107 -88.48524 445.90093
7985.0000 -90.32442 -87.94903 2.37538 1.87790 -88.29836 459.83176
7990.0000 -89.97420 -87.71975 2.25445 1.89766 -88.07899 480.15217
7995.0000 -90.68328 -88.58342 2.09986 1.89771 -88.07835 484.88147
8000.0000 -90.63385 -88.87685 1.75701 1.86901 -88.39707 446.54720
FREEZING PROCESS: loop number 33 T-loop= 428.00000000000000
main_MD> interactions number 33 at Temperature= 428.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.81817 0.29607 2.06746
force_rgl> df(natom) 1.73543 0.33362 -1.59977
8005.0000 -90.97485 -88.97261 2.00224 1.82634 -88.87088 411.97929
8010.0000 -91.07675 -89.31514 1.76161 1.77509 -89.43992 370.07750
8015.0000 -90.97444 -88.89942 2.07502 1.80354 -89.12399 400.50664
8020.0000 -90.57078 -88.78846 1.78233 1.82326 -88.90503 395.34079
8025.0000 -90.86903 -89.17570 1.69333 1.83298 -88.79710 415.31439
8030.0000 -90.95128 -89.10224 1.84904 1.81881 -88.95450 408.29414
8035.0000 -90.58147 -88.38494 2.19653 1.84835 -88.62642 436.13734
8040.0000 -90.83245 -88.49595 2.33650 1.87228 -88.36078 476.04258
8045.0000 -90.89775 -89.21725 1.68051 1.79961 -89.16763 396.48103
8050.0000 -90.86462 -89.00928 1.85534 1.81445 -89.00293 375.04172
8055.0000 -90.54383 -87.89545 2.64838 1.83382 -88.78781 397.92495
8060.0000 -90.18132 -88.28126 1.90005 1.89943 -88.05933 465.01086
8065.0000 -90.88941 -89.00386 1.88555 1.84178 -88.69947 417.02538
8070.0000 -90.64415 -88.44309 2.20106 1.84842 -88.62566 416.90968
8075.0000 -90.54148 -88.79746 1.74402 1.84572 -88.65562 415.61970
8080.0000 -90.91109 -89.27059 1.64050 1.80040 -89.15892 373.64373
8085.0000 -90.94936 -88.94412 2.00524 1.79103 -89.26294 371.41678
8090.0000 -90.30796 -88.18400 2.12396 1.84300 -88.68585 432.53150
8095.0000 -90.50050 -88.43188 2.06862 1.89019 -88.16192 440.03097
8100.0000 -90.76373 -88.31510 2.44863 1.86495 -88.44218 429.40431
8105.0000 -90.65975 -88.63637 2.02338 1.85238 -88.58167 420.66349
8110.0000 -90.54727 -88.27021 2.27706 1.85066 -88.60086 436.79651
8115.0000 -90.59857 -87.63762 2.96095 1.92265 -87.80142 523.15108
8120.0000 -90.00450 -87.81438 2.19012 1.92060 -87.82427 492.42791
8125.0000 -90.46119 -88.39143 2.06977 1.89104 -88.15242 467.30784
8130.0000 -90.60353 -88.15890 2.44463 1.88679 -88.19967 476.62794
8135.0000 -89.80641 -87.69037 2.11604 1.91139 -87.92653 480.11069
8140.0000 -90.35237 -87.88453 2.46784 1.91826 -87.85026 491.07030
8145.0000 -90.77194 -88.79981 1.97213 1.89142 -88.14826 476.90870
8150.0000 -90.39342 -88.72041 1.67302 1.85973 -88.50011 432.16006
8155.0000 -91.07192 -88.96573 2.10619 1.83689 -88.75368 432.85328
8160.0000 -90.96454 -88.92929 2.03525 1.81214 -89.02857 400.13983
8165.0000 -90.71557 -89.00364 1.71193 1.84640 -88.64814 449.67755
8170.0000 -90.45428 -88.09101 2.36327 1.82050 -88.93569 399.82531
8175.0000 -90.42933 -88.10540 2.32393 1.89793 -88.07592 489.27848
8180.0000 -90.21555 -88.38082 1.83473 1.85694 -88.53113 453.07796
8185.0000 -91.04665 -88.86595 2.18070 1.86207 -88.47411 464.70183
8190.0000 -90.37478 -88.07178 2.30300 1.85832 -88.51575 451.81129
8195.0000 -90.68144 -88.05268 2.62876 1.87117 -88.37312 464.82913
8200.0000 -90.54845 -88.25960 2.28885 1.88590 -88.20955 463.62999
8205.0000 -90.63605 -88.38346 2.25259 1.90572 -87.98949 500.57137
8210.0000 -90.79597 -88.96370 1.83227 1.85244 -88.58104 452.48068
8215.0000 -90.57754 -88.66515 1.91239 1.85915 -88.50651 444.19999
8220.0000 -90.62926 -88.54732 2.08195 1.83007 -88.82941 413.44195
8225.0000 -90.58011 -88.56571 2.01440 1.88252 -88.24701 466.98790
8230.0000 -90.71829 -88.62909 2.08920 1.86786 -88.40979 438.56178
8235.0000 -90.81413 -88.69902 2.11511 1.83210 -88.80695 410.56283
8240.0000 -90.60926 -88.21374 2.39553 1.89073 -88.15585 472.79865
8245.0000 -90.80339 -88.78428 2.01910 1.91408 -87.89666 504.74062
8250.0000 -90.89223 -88.39101 2.50122 1.85514 -88.55106 452.36149
FREEZING PROCESS: loop number 34 T-loop= 403.00000000000000
main_MD> interactions number 34 at Temperature= 403.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.37628 -3.15064 -1.64687
force_rgl> df(natom) 3.18478 -1.57389 -3.27994
8255.0000 -91.32283 -88.68894 2.63389 1.87132 -88.37142 473.35545
8260.0000 -90.29808 -88.13209 2.16599 1.83046 -88.82509 421.26361
8265.0000 -90.58120 -88.54218 2.03901 1.88723 -88.19479 454.21433
8270.0000 -90.69690 -88.75388 1.94302 1.83045 -88.82525 402.85874
8275.0000 -91.05691 -89.46764 1.58926 1.80814 -89.07295 385.00297
8280.0000 -90.97602 -88.66325 2.31277 1.82715 -88.86182 422.48037
8285.0000 -90.90326 -88.98284 1.92041 1.81340 -89.01453 451.95144
8290.0000 -90.86332 -88.56836 2.29496 1.83174 -88.81096 443.13799
8295.0000 -90.84939 -89.27475 1.57464 1.83824 -88.73873 455.08085
8300.0000 -91.30598 -88.66991 2.63607 1.81266 -89.02280 418.31639
8305.0000 -90.70192 -88.59922 2.10270 1.84794 -88.63101 452.61168
8310.0000 -91.18851 -88.97967 2.20884 1.82583 -88.87653 427.48897
8315.0000 -90.80039 -88.57891 2.22148 1.84776 -88.63302 445.81512
8320.0000 -90.00599 -87.94107 2.06492 1.84599 -88.65269 421.48194
8325.0000 -90.60596 -88.91806 1.68790 1.84447 -88.66951 410.86480
8330.0000 -90.56980 -88.63200 1.93780 1.84210 -88.69592 417.20934
8335.0000 -91.22761 -88.96062 2.26699 1.82870 -88.84471 399.58640
8340.0000 -90.91908 -89.18062 1.73846 1.82730 -88.86025 411.84250
8345.0000 -91.12002 -89.37622 1.74380 1.79492 -89.21973 377.75658
8350.0000 -91.19310 -89.38836 1.80474 1.78922 -89.28302 384.03320
8355.0000 -91.27983 -89.33506 1.94477 1.78620 -89.31658 389.31068
8360.0000 -91.28010 -89.12402 2.15608 1.79315 -89.23942 388.89922
8365.0000 -91.28841 -89.57293 1.71549 1.78390 -89.34208 383.73193
8370.0000 -91.01955 -89.22849 1.79105 1.77993 -89.38617 378.22508
8375.0000 -90.61669 -88.58652 2.03017 1.83822 -88.73893 433.30984
8380.0000 -91.12975 -89.29312 1.83663 1.81359 -89.01246 402.63748
8385.0000 -90.96950 -89.00718 1.96233 1.78001 -89.38535 357.25154
8390.0000 -90.30160 -88.71182 1.58978 1.81775 -88.96619 393.28403
8395.0000 -90.78040 -88.67076 2.10964 1.83879 -88.73267 410.43547
8400.0000 -90.82611 -88.81142 2.01470 1.87166 -88.36767 453.00869
8405.0000 -90.81476 -89.07922 1.73554 1.81842 -88.95879 382.40611
8410.0000 -90.65407 -88.87515 1.77892 1.82352 -88.90223 406.47853
8415.0000 -90.91028 -88.86625 2.04402 1.82299 -88.90801 419.82869
8420.0000 -91.18345 -89.45095 1.73250 1.79784 -89.18737 393.28669
8425.0000 -90.80367 -88.10583 2.69783 1.85381 -88.56590 440.81287
8430.0000 -90.71239 -88.63115 2.08124 1.87989 -88.27621 468.40019
8435.0000 -91.05461 -88.85211 2.20250 1.84119 -88.70601 434.84072
8440.0000 -91.32028 -89.56376 1.75653 1.79137 -89.25911 395.74980
8445.0000 -91.23883 -89.49321 1.74561 1.75809 -89.62865 344.02059
8450.0000 -90.72984 -88.89673 1.83311 1.81156 -89.03496 393.58277
8455.0000 -90.72602 -89.05499 1.67103 1.82547 -88.88050 405.15673
8460.0000 -91.31688 -89.25163 2.06525 1.80404 -89.11848 378.39038
8465.0000 -91.04385 -89.03774 2.00611 1.80241 -89.13658 372.99770
8470.0000 -91.47119 -89.32443 2.14676 1.81779 -88.96584 409.57573
8475.0000 -91.08143 -89.34702 1.73441 1.76980 -89.49867 360.80844
8480.0000 -91.08770 -88.96579 2.12191 1.80824 -89.07179 408.33718
8485.0000 -91.12826 -88.82893 2.29933 1.83708 -88.75156 438.02037
8490.0000 -90.72750 -89.01025 1.71725 1.83298 -88.79715 419.34702
8495.0000 -90.80572 -89.12062 1.68510 1.82591 -88.87561 410.39158
8500.0000 -91.08319 -89.32227 1.76092 1.79855 -89.17947 376.36113
FREEZING PROCESS: loop number 35 T-loop= 378.00000000000000
main_MD> interactions number 35 at Temperature= 378.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.40751 -0.24441 0.10902
force_rgl> df(natom) -0.02109 -0.56172 -0.78285
8505.0000 -91.06759 -89.43460 1.63299 1.76472 -89.55507 341.26474
8510.0000 -91.15845 -89.37441 1.78404 1.78800 -89.29660 386.40446
8515.0000 -91.41850 -89.34972 2.06878 1.75983 -89.60932 343.84797
8520.0000 -90.71601 -88.80303 1.91297 1.81118 -89.03918 403.18241
8525.0000 -90.35404 -88.14537 2.20867 1.84851 -88.62469 441.20078
8530.0000 -91.11597 -89.19973 1.91624 1.84708 -88.64053 426.77054
8535.0000 -90.59536 -88.91462 1.68074 1.81678 -88.97705 393.13572
8540.0000 -90.74976 -88.42823 2.32153 1.88916 -88.17328 478.38780
8545.0000 -90.74386 -88.96204 1.78182 1.84029 -88.71598 418.06140
8550.0000 -90.51916 -88.71489 1.80426 1.82296 -88.90837 410.59765
8555.0000 -90.98043 -88.85672 2.12370 1.82618 -88.87264 410.04012
8560.0000 -91.05125 -89.26017 1.79108 1.78663 -89.31185 376.51706
8565.0000 -91.29129 -89.51999 1.77130 1.76711 -89.52855 349.17545
8570.0000 -91.22271 -88.87542 2.34729 1.80108 -89.15135 394.55105
8575.0000 -91.08097 -89.45340 1.62756 1.80444 -89.11405 387.87620
8580.0000 -90.96454 -89.34570 1.61885 1.75925 -89.61579 351.14700
8585.0000 -91.03411 -89.15204 1.88207 1.78544 -89.32497 375.03279
8590.0000 -91.11441 -89.23651 1.87790 1.78160 -89.36761 371.28692
8595.0000 -91.67553 -89.72589 1.94963 1.79937 -89.17032 396.89783
8600.0000 -91.48301 -89.30993 2.17308 1.77126 -89.48249 366.12928
8605.0000 -90.80190 -89.14835 1.65355 1.76999 -89.49660 359.38460
8610.0000 -90.81204 -88.77980 2.03225 1.80880 -89.06559 405.01549
8615.0000 -90.83486 -89.34494 1.48992 1.79760 -89.18999 389.14414
8620.0000 -90.99835 -89.23969 1.75866 1.80465 -89.11170 359.74134
8625.0000 -91.07432 -89.50650 1.56782 1.79261 -89.24536 376.79504
8630.0000 -91.12703 -89.28404 1.84299 1.78079 -89.37662 358.74244
8635.0000 -91.11013 -89.46858 1.64155 1.79129 -89.26006 380.26472
8640.0000 -91.24168 -89.44721 1.79447 1.77929 -89.39334 357.60667
8645.0000 -90.95163 -88.95120 2.00043 1.78667 -89.31140 358.24275
8650.0000 -90.74563 -88.93826 1.80737 1.83184 -88.80983 402.73689
8655.0000 -90.78314 -88.86936 1.91378 1.84415 -88.67312 412.83998
8660.0000 -90.27753 -88.44044 1.83708 1.84965 -88.61206 410.85587
8665.0000 -90.53781 -88.93463 1.60318 1.82849 -88.84702 397.66048
8670.0000 -90.61171 -88.84462 1.76709 1.79177 -89.25471 357.23770
8675.0000 -90.58384 -89.26588 1.31796 1.78411 -89.33976 348.28514
8680.0000 -91.07261 -89.48343 1.58918 1.78590 -89.31992 352.60992
8685.0000 -90.75210 -88.64417 2.10793 1.82379 -88.89913 415.91042
8690.0000 -91.04343 -89.41575 1.62768 1.83494 -88.77537 429.73072
8695.0000 -91.22024 -89.45791 1.76232 1.77240 -89.46980 370.48860
8700.0000 -91.05650 -89.10416 1.95234 1.76522 -89.54948 340.98153
8705.0000 -91.10222 -89.40328 1.69895 1.78115 -89.37261 361.18757
8710.0000 -91.02213 -89.28531 1.73682 1.79199 -89.25228 364.56611
8715.0000 -90.76429 -89.07741 1.68688 1.79362 -89.23414 378.93141
8720.0000 -91.23287 -89.81719 1.41568 1.79520 -89.21668 383.39707
8725.0000 -90.99528 -88.87428 2.12100 1.77649 -89.42440 367.59048
8730.0000 -90.54048 -88.36716 2.17331 1.84592 -88.65344 429.35655
8735.0000 -90.97669 -88.91980 2.05689 1.84832 -88.62679 432.43261
8740.0000 -90.84718 -88.82261 2.02457 1.83197 -88.80833 419.02255
8745.0000 -91.10945 -89.02626 2.08318 1.82216 -88.91727 406.66729
8750.0000 -90.95363 -89.07876 1.87487 1.79867 -89.17811 367.57388
FREEZING PROCESS: loop number 36 T-loop= 353.00000000000000
main_MD> interactions number 36 at Temperature= 353.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.89056 4.91831 1.80512
force_rgl> df(natom) -0.48303 0.79417 -2.35365
8755.0000 -90.56850 -88.88010 1.68840 1.82334 -88.90419 409.23126
8760.0000 -91.08059 -89.28533 1.79526 1.80225 -89.13835 385.70333
8765.0000 -91.71955 -89.97169 1.74786 1.76491 -89.55297 361.67429
8770.0000 -91.32420 -89.51249 1.81170 1.76196 -89.58576 355.16013
8775.0000 -91.31744 -89.81885 1.49859 1.76294 -89.57488 361.58550
8780.0000 -91.32807 -89.95641 1.37166 1.71944 -90.05788 308.17869
8785.0000 -91.37136 -89.68084 1.69051 1.75856 -89.62342 352.30928
8790.0000 -91.29899 -89.51625 1.78274 1.76350 -89.56862 349.63279
8795.0000 -91.34356 -89.85576 1.48780 1.75323 -89.68268 335.48938
8800.0000 -91.10582 -89.19251 1.91330 1.77530 -89.43764 355.23202
8805.0000 -90.98990 -88.91333 2.07657 1.78071 -89.37756 367.50453
8810.0000 -90.97075 -89.28616 1.68459 1.78969 -89.27784 385.19632
8815.0000 -90.81849 -89.23182 1.58667 1.78831 -89.29319 364.01262
8820.0000 -90.71966 -89.29428 1.42538 1.77580 -89.43205 348.72312
8825.0000 -91.12262 -89.69504 1.42758 1.77258 -89.46776 348.87183
8830.0000 -90.90727 -89.39618 1.51109 1.75889 -89.61980 338.18384
8835.0000 -91.10530 -89.44817 1.65713 1.76299 -89.57426 340.86830
8840.0000 -91.51440 -89.78667 1.72774 1.75223 -89.69374 333.38385
8845.0000 -91.43410 -89.63334 1.80075 1.75116 -89.70570 324.89357
8850.0000 -91.27897 -89.86316 1.41580 1.74050 -89.82399 309.25334
8855.0000 -90.85624 -89.19374 1.66250 1.75838 -89.62549 323.60300
8860.0000 -91.53932 -89.83523 1.70409 1.76598 -89.54107 343.62312
8865.0000 -91.31080 -89.61832 1.69247 1.75030 -89.71520 327.58292
8870.0000 -91.26320 -89.29748 1.96572 1.77389 -89.45320 368.74081
8875.0000 -91.32140 -89.53264 1.78875 1.76632 -89.53729 362.04361
8880.0000 -90.87753 -88.89119 1.98634 1.80883 -89.06529 395.03937
8885.0000 -91.01046 -89.10264 1.90782 1.81400 -89.00788 403.44837
8890.0000 -91.14504 -89.27316 1.87188 1.78861 -89.28981 381.12424
8895.0000 -91.38316 -89.37230 2.01086 1.78072 -89.37737 379.64236
8900.0000 -91.23109 -89.41603 1.81506 1.77162 -89.47849 363.76812
8905.0000 -91.44189 -89.87648 1.56541 1.76412 -89.56170 354.55057
8910.0000 -91.25893 -89.85528 1.40365 1.73279 -89.90961 330.02781
8915.0000 -91.46502 -89.64920 1.81582 1.73034 -89.93680 317.12089
8920.0000 -91.65804 -90.04982 1.60822 1.74880 -89.73180 348.47409
8925.0000 -91.51985 -89.83813 1.68173 1.73155 -89.92340 332.05552
8930.0000 -91.35963 -89.78202 1.57761 1.74279 -89.79859 344.34899
8935.0000 -91.58070 -90.13894 1.44175 1.72365 -90.01109 336.33927
8940.0000 -91.46525 -89.91488 1.55037 1.73409 -89.89516 349.02300
8945.0000 -91.27625 -89.49284 1.78341 1.76221 -89.58295 377.18414
8950.0000 -91.57610 -89.64195 1.93415 1.77271 -89.46641 372.52633
8955.0000 -91.08711 -89.56332 1.52380 1.74085 -89.82016 331.71948
8960.0000 -91.10671 -89.63401 1.47271 1.76460 -89.55640 350.40001
8965.0000 -91.13131 -89.67783 1.45347 1.74532 -89.77043 321.35046
8970.0000 -91.00212 -89.80075 1.20137 1.74206 -89.80669 311.40209
8975.0000 -91.62284 -90.24009 1.38275 1.74028 -89.82640 321.63048
8980.0000 -91.29272 -90.03829 1.25443 1.70594 -90.20772 286.92743
8985.0000 -91.23798 -89.40918 1.82879 1.76959 -89.50099 357.24708
8990.0000 -91.12077 -89.51684 1.60392 1.76672 -89.53286 355.79174
8995.0000 -91.33757 -89.56142 1.77614 1.77271 -89.46632 337.47775
9000.0000 -91.24829 -89.36599 1.88230 1.75339 -89.68091 334.45756
FREEZING PROCESS: loop number 37 T-loop= 328.00000000000000
main_MD> interactions number 37 at Temperature= 328.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.65113 -1.26531 0.89502
force_rgl> df(natom) 0.50415 -1.44538 -4.10270
9005.0000 -91.18107 -89.83313 1.34794 1.76629 -89.53768 339.40210
9010.0000 -91.46620 -89.83887 1.62733 1.76098 -89.59665 343.52464
9015.0000 -91.65246 -90.03619 1.61627 1.73334 -89.90350 324.88183
9020.0000 -91.42682 -89.78018 1.64664 1.72509 -89.99507 307.54145
9025.0000 -91.42805 -89.87695 1.55110 1.74368 -89.78870 333.13506
9030.0000 -91.21596 -89.82371 1.39225 1.72100 -90.04050 302.39525
9035.0000 -91.11312 -89.52680 1.58631 1.75669 -89.64424 347.58530
9040.0000 -91.56153 -89.94371 1.61783 1.77532 -89.43738 362.18481
9045.0000 -91.35539 -89.82747 1.52791 1.72394 -90.00787 302.61010
9050.0000 -91.29944 -89.53922 1.76022 1.72160 -90.03383 295.87324
9055.0000 -91.02744 -89.64777 1.37967 1.76682 -89.53180 353.96904
9060.0000 -91.35232 -89.34386 2.00846 1.77187 -89.47568 351.24118
9065.0000 -91.07031 -89.65314 1.41717 1.77384 -89.45385 366.27347
9070.0000 -91.47130 -89.88103 1.59027 1.73942 -89.83602 323.26710
9075.0000 -91.41171 -89.91807 1.49364 1.72231 -90.02596 302.91850
9080.0000 -91.25828 -89.98973 1.26856 1.73670 -89.86620 313.61684
9085.0000 -91.09235 -89.70800 1.38435 1.74406 -89.78445 311.29566
9090.0000 -90.44815 -89.00581 1.44234 1.78347 -89.34683 365.36163
9095.0000 -91.14328 -89.46683 1.67644 1.77984 -89.38718 359.12601
9100.0000 -91.37982 -89.90875 1.47107 1.74490 -89.77512 324.91729
9105.0000 -91.30939 -89.65660 1.65280 1.73951 -89.83502 323.44480
9110.0000 -91.51099 -90.16160 1.34938 1.72307 -90.01759 310.91951
9115.0000 -91.55833 -90.20321 1.35512 1.71748 -90.07966 310.56402
9120.0000 -91.36339 -89.64417 1.71921 1.73234 -89.91466 322.13729
9125.0000 -91.44527 -89.34573 2.09954 1.77305 -89.46259 357.74442
9130.0000 -91.20450 -89.63044 1.57406 1.76987 -89.49787 358.12703
9135.0000 -91.10707 -89.53521 1.57186 1.75678 -89.64326 340.75524
9140.0000 -91.10299 -89.50490 1.59809 1.78416 -89.33917 363.12188
9145.0000 -91.69579 -90.28320 1.41259 1.72406 -90.00651 308.81947
9150.0000 -91.60641 -90.26670 1.33971 1.71667 -90.08860 301.26876
9155.0000 -91.58628 -90.02327 1.56301 1.71697 -90.08524 303.02088
9160.0000 -91.13295 -89.78250 1.35044 1.74522 -89.77156 340.08988
9165.0000 -91.27947 -89.61094 1.66853 1.74788 -89.74209 339.50663
9170.0000 -91.11141 -89.61772 1.49370 1.75917 -89.61674 348.27175
9175.0000 -91.42720 -90.13381 1.29339 1.72797 -89.96316 307.29397
9180.0000 -91.36115 -89.87807 1.48308 1.73590 -89.87505 318.97410
9185.0000 -91.39829 -89.97940 1.41890 1.72485 -89.99781 306.86049
9190.0000 -91.50384 -89.82370 1.68014 1.72693 -89.97470 312.61948
9195.0000 -91.62346 -90.14050 1.48295 1.71274 -90.13220 302.15958
9200.0000 -91.52701 -89.96043 1.56658 1.72353 -90.01245 314.09613
9205.0000 -91.40131 -89.90060 1.50070 1.73544 -89.88018 326.36698
9210.0000 -91.00421 -89.50213 1.50209 1.75525 -89.66024 338.15773
9215.0000 -91.43400 -90.18427 1.24973 1.72462 -90.00037 316.13554
9220.0000 -91.68765 -90.19666 1.49099 1.72196 -90.02981 312.85929
9225.0000 -91.66417 -90.37610 1.28807 1.71161 -90.14483 307.32641
9230.0000 -91.49657 -89.93385 1.56272 1.71859 -90.06724 305.32907
9235.0000 -91.35380 -89.82173 1.53207 1.72983 -89.94243 323.13708
9240.0000 -91.57642 -89.86411 1.71231 1.71336 -90.12535 311.40212
9245.0000 -91.32627 -89.82815 1.49812 1.73399 -89.89629 328.05470
9250.0000 -91.32540 -90.03221 1.29319 1.73828 -89.84864 340.75915
FREEZING PROCESS: loop number 38 T-loop= 303.00000000000000
main_MD> interactions number 38 at Temperature= 303.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.13433 -2.49497 -1.24543
force_rgl> df(natom) -1.08912 -2.53380 -0.75785
9255.0000 -91.63706 -90.53541 1.10165 1.70037 -90.26965 289.51916
9260.0000 -91.99614 -90.57020 1.42594 1.68884 -90.39764 283.85734
9265.0000 -91.50592 -89.82861 1.67731 1.69656 -90.31195 296.87191
9270.0000 -91.48938 -89.86903 1.62034 1.73934 -89.83684 338.48709
9275.0000 -91.85508 -90.22364 1.63143 1.75052 -89.71278 349.50517
9280.0000 -91.59954 -90.04660 1.55294 1.70666 -90.19979 314.10660
9285.0000 -91.73895 -90.10938 1.62957 1.71905 -90.06216 316.82285
9290.0000 -91.71717 -90.13101 1.58616 1.70724 -90.19328 300.14837
9295.0000 -91.81998 -90.40434 1.41563 1.70178 -90.25392 300.38349
9300.0000 -91.68013 -90.20169 1.47844 1.70233 -90.24784 293.76394
9305.0000 -91.70402 -90.38795 1.31607 1.69100 -90.37363 288.69779
9310.0000 -91.65849 -90.31569 1.34280 1.69749 -90.30163 288.32373
9315.0000 -91.68034 -90.14139 1.53895 1.70216 -90.24975 299.45226
9320.0000 -91.46270 -90.09133 1.37137 1.71525 -90.10443 320.91533
9325.0000 -91.69789 -90.28819 1.40971 1.70162 -90.25574 294.59107
9330.0000 -91.78589 -90.48504 1.30085 1.69299 -90.35151 306.96281
9335.0000 -91.59897 -90.20385 1.39513 1.68513 -90.43884 280.59084
9340.0000 -91.58410 -90.37520 1.20890 1.71044 -90.15778 310.11503
9345.0000 -91.13028 -89.64029 1.48999 1.72806 -89.96217 324.23456
9350.0000 -91.69595 -90.04583 1.65012 1.73162 -89.92256 334.18757
9355.0000 -91.62500 -89.83036 1.79463 1.71919 -90.06063 312.95082
9360.0000 -91.35991 -89.83390 1.52602 1.74502 -89.77380 345.13597
9365.0000 -91.89425 -90.42960 1.46465 1.72466 -89.99987 325.80504
9370.0000 -91.62369 -90.30660 1.31709 1.70363 -90.23338 298.42502
9375.0000 -91.70649 -90.65098 1.05551 1.68533 -90.43655 282.77761
9380.0000 -91.78527 -90.40406 1.38121 1.67037 -90.60274 272.79950
9385.0000 -91.65940 -90.41521 1.24420 1.68695 -90.41858 278.69489
9390.0000 -91.33518 -89.90701 1.42816 1.70717 -90.19413 301.82642
9395.0000 -91.62594 -90.17208 1.45386 1.71029 -90.15949 304.19846
9400.0000 -91.36709 -89.72241 1.64468 1.74457 -89.77882 342.82939
9405.0000 -91.52768 -89.96690 1.56078 1.74435 -89.78122 349.14686
9410.0000 -91.32488 -89.72753 1.59735 1.72669 -89.97733 317.82675
9415.0000 -91.17846 -89.85422 1.32424 1.73268 -89.91089 331.87034
9420.0000 -91.46957 -89.81437 1.65520 1.75974 -89.61039 357.87868
9425.0000 -91.61686 -89.91768 1.69919 1.73998 -89.82973 345.81648
9430.0000 -91.47846 -89.86095 1.61751 1.73487 -89.88651 337.61933
9435.0000 -92.01840 -90.77523 1.24318 1.68852 -90.40116 280.81959
9440.0000 -91.69994 -90.43583 1.26411 1.66880 -90.62019 259.69872
9445.0000 -91.28665 -89.77832 1.50833 1.70742 -90.19129 294.82156
9450.0000 -91.24958 -89.57458 1.67500 1.74039 -89.82521 338.10152
9455.0000 -90.99528 -89.25914 1.73614 1.75837 -89.62553 349.73065
9460.0000 -91.58221 -90.02571 1.55650 1.74601 -89.76279 342.49536
9465.0000 -91.73161 -90.40704 1.32457 1.69750 -90.30142 291.38635
9470.0000 -91.68182 -90.50860 1.17322 1.67907 -90.50606 271.66202
9475.0000 -91.52414 -90.00202 1.52212 1.70170 -90.25484 298.60634
9480.0000 -91.27499 -89.66482 1.61016 1.73837 -89.84766 334.51983
9485.0000 -91.27394 -89.70954 1.56441 1.75786 -89.63124 342.36695
9490.0000 -91.61573 -90.18525 1.43047 1.73834 -89.84794 321.49127
9495.0000 -91.58535 -90.43797 1.14738 1.71451 -90.11263 295.26921
9500.0000 -91.39328 -89.82872 1.56456 1.70005 -90.27310 273.82712
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 6.1729186 [s].
main_MD> Deallocating global variables
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