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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_62/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_62.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 = 62 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 2000
main_MD> Size of nv and nvoiz: 62 6200
main_MD> Size of nv and nvoiz: 62 6200
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 = 62
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 2.3849987233936124E-002 -0.11196205373707564 -0.11108108445583045 initial drift of cluster / NP1 for coalescence
init> 0.35179228618245056 0.33836246399000874 0.33313184619655717 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8710991006045792E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.52129 -1.04307 3.14870
force_rgl> df(natom) 1.39125 0.24879 3.57701
preparo> THERMALIZATION PROCESS AT 1297.4042160784372
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -128.16554023824781 12.382827300549675 -140.54836753879749 7.4641015873382543E-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 40
FREEZING PROCESS: loop number 1 T-loop= 1275.0000000000000
main_MD> interactions number 1 at Temperature= 1275.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.94570 -1.27569 0.20423
force_rgl> df(natom) 2.41498 1.95951 1.42189
5.0000 -145.46808 -134.33955 11.12853 3.33055 -130.72731 1388.93816
10.0000 -144.49828 -132.98116 11.51713 3.13605 -133.77412 1237.33708
15.0000 -144.39434 -134.70559 9.68875 3.17876 -133.10499 1328.12858
20.0000 -144.07546 -134.18997 9.88548 3.03253 -135.39563 1204.71858
25.0000 -146.27919 -137.39295 8.88625 3.01533 -135.66515 1173.55122
30.0000 -144.80298 -134.79632 10.00667 2.95106 -136.67190 1131.59010
35.0000 -143.97469 -133.68350 10.29119 3.10274 -134.29594 1249.89369
40.0000 -141.56789 -131.85388 9.71400 3.25555 -131.90210 1343.45296
45.0000 -144.10936 -136.15881 7.95055 3.14334 -133.65980 1248.12201
50.0000 -145.18668 -135.99507 9.19162 2.95910 -136.54605 1125.33411
55.0000 -144.33166 -135.05983 9.27183 3.03884 -135.29691 1170.49887
60.0000 -143.54777 -133.84776 9.70001 3.16403 -133.33572 1272.33291
65.0000 -142.44877 -131.33558 11.11319 3.17971 -133.09014 1271.74661
70.0000 -141.94692 -131.60048 10.34644 3.27038 -131.66985 1369.78820
75.0000 -143.38822 -132.10803 11.28019 3.22819 -132.33068 1334.96599
80.0000 -143.27028 -131.53957 11.73071 3.28239 -131.48169 1418.38523
85.0000 -142.62694 -130.58873 12.03821 3.27155 -131.65149 1335.14469
90.0000 -142.53035 -132.72650 9.80385 3.22565 -132.37057 1297.01725
95.0000 -142.85239 -133.05528 9.79711 3.11120 -134.16329 1215.31786
100.0000 -140.46344 -129.73148 10.73196 3.27296 -131.62939 1382.63093
105.0000 -142.51346 -130.48505 12.02841 3.37532 -130.02590 1367.03645
110.0000 -141.43716 -129.57512 11.86204 3.34815 -130.45151 1415.43796
115.0000 -142.34436 -130.32808 12.01628 3.35988 -130.26780 1441.50694
120.0000 -142.82559 -132.09854 10.72705 3.29888 -131.22334 1340.02626
125.0000 -145.52356 -134.61752 10.90604 3.12617 -133.92891 1248.03320
130.0000 -146.34748 -135.69204 10.65544 3.10495 -134.26124 1232.88851
135.0000 -144.97254 -134.35588 10.61665 3.09866 -134.35984 1223.87975
140.0000 -143.79972 -133.79552 10.00420 3.07652 -134.70656 1236.53909
145.0000 -141.59400 -132.51613 9.07787 3.22146 -132.43618 1326.25176
150.0000 -142.82094 -133.60245 9.21849 3.24781 -132.02329 1308.59108
155.0000 -145.05654 -136.04466 9.01188 3.10767 -134.21863 1224.72045
160.0000 -145.40818 -134.89811 10.51007 3.01606 -135.65365 1169.58578
165.0000 -144.92105 -135.45589 9.46516 3.11643 -134.08144 1308.77455
170.0000 -144.48913 -131.67293 12.81620 3.09725 -134.38181 1274.38889
175.0000 -142.82741 -131.38029 11.44712 3.30374 -131.14729 1393.93214
180.0000 -143.20355 -132.15709 11.04646 3.24179 -132.11763 1300.40911
185.0000 -142.38998 -131.58839 10.80159 3.30253 -131.16624 1362.31463
190.0000 -146.18414 -133.79415 12.38999 3.21944 -132.46781 1328.89760
195.0000 -142.23455 -132.09622 10.13833 3.12871 -133.88908 1274.64648
200.0000 -144.47972 -132.87980 11.59993 3.25715 -131.87709 1372.11609
205.0000 -143.70162 -133.90288 9.79874 3.16055 -133.39026 1294.79599
210.0000 -143.28124 -131.83510 11.44614 3.23346 -132.24816 1319.77059
215.0000 -143.86459 -132.42107 11.44352 3.25103 -131.97289 1367.71606
220.0000 -143.07716 -132.48586 10.59130 3.16874 -133.26204 1292.03737
225.0000 -143.10757 -133.53386 9.57371 3.20188 -132.74290 1313.92705
230.0000 -145.44219 -133.63480 11.80739 3.23879 -132.16472 1362.47406
235.0000 -142.47890 -132.49995 9.97895 3.13799 -133.74364 1255.02674
240.0000 -144.65375 -133.40897 11.24478 3.16593 -133.30595 1242.27568
245.0000 -144.55188 -133.26092 11.29095 3.10373 -134.28031 1245.98044
250.0000 -142.75682 -132.40674 10.35007 3.21600 -132.52163 1290.92913
FREEZING PROCESS: loop number 2 T-loop= 1250.0000000000000
main_MD> interactions number 2 at Temperature= 1250.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.81881 -1.41598 -0.83786
force_rgl> df(natom) -1.47258 -0.96070 1.63817
255.0000 -145.39262 -134.54466 10.84796 3.16687 -133.29133 1332.54652
260.0000 -145.15994 -134.98301 10.17693 3.13550 -133.78275 1257.55048
265.0000 -145.73880 -134.39113 11.34767 3.05315 -135.07264 1235.04069
270.0000 -144.30777 -132.64130 11.66647 3.08036 -134.64645 1269.53387
275.0000 -141.93093 -134.09830 7.83263 3.19148 -132.90576 1297.58113
280.0000 -140.74107 -131.45759 9.28348 3.19143 -132.90657 1266.00374
285.0000 -144.24759 -132.02287 12.22472 3.28638 -131.41919 1372.66430
290.0000 -143.99208 -134.09034 9.90173 3.15558 -133.46813 1288.66727
295.0000 -142.84724 -134.46320 8.38403 3.09540 -134.41088 1212.81411
300.0000 -145.04974 -134.94690 10.10284 3.14971 -133.56002 1294.34046
305.0000 -143.65753 -133.30357 10.35396 3.12230 -133.98940 1271.22489
310.0000 -144.89456 -134.24250 10.65206 3.12021 -134.02216 1288.02231
315.0000 -144.94772 -134.55651 10.39121 3.07765 -134.68895 1226.44937
320.0000 -144.61759 -134.54147 10.07612 3.10544 -134.25350 1267.73335
325.0000 -144.33403 -133.95617 10.37787 3.21918 -132.47182 1341.04128
330.0000 -143.55414 -133.79270 9.76144 3.16258 -133.35850 1277.58139
335.0000 -142.70254 -132.17702 10.52552 3.15127 -133.53572 1264.22033
340.0000 -141.47937 -132.73253 8.74684 3.21939 -132.46862 1300.12352
345.0000 -141.68676 -131.57741 10.10935 3.25584 -131.89757 1367.58080
350.0000 -143.15057 -131.55682 11.59375 3.26742 -131.71623 1384.88877
355.0000 -144.79272 -134.49192 10.30080 3.08196 -134.62143 1249.17446
360.0000 -145.40437 -136.79467 8.60969 2.99779 -135.93993 1136.37878
365.0000 -144.89826 -135.55223 9.34603 3.04218 -135.24448 1192.49752
370.0000 -144.42373 -134.45215 9.97159 3.03020 -135.43221 1207.53368
375.0000 -144.56412 -134.73814 9.82598 3.09074 -134.48391 1240.36490
380.0000 -143.72580 -133.30197 10.42383 3.18535 -133.00171 1289.04443
385.0000 -144.39108 -133.81987 10.57120 3.27146 -131.65286 1357.41171
390.0000 -142.50680 -132.17600 10.33080 3.16410 -133.33468 1273.89271
395.0000 -142.60197 -131.89262 10.70935 3.20695 -132.66348 1345.97269
400.0000 -145.52313 -134.93021 10.59291 3.19461 -132.85679 1318.43915
405.0000 -142.63728 -131.86553 10.77175 3.17488 -133.16587 1323.37705
410.0000 -141.12833 -131.81594 9.31239 3.28418 -131.45365 1346.36043
415.0000 -141.89072 -132.73531 9.15540 3.24479 -132.07061 1327.67665
420.0000 -140.97412 -130.68886 10.28526 3.29207 -131.33000 1363.95335
425.0000 -143.40829 -133.18298 10.22531 3.19231 -132.89284 1329.11272
430.0000 -143.75699 -135.62307 8.13392 3.07734 -134.69383 1221.18548
435.0000 -145.30696 -133.67920 11.62776 3.11166 -134.15618 1274.18389
440.0000 -144.93972 -135.55519 9.38453 3.12187 -133.99616 1225.08633
445.0000 -141.51873 -130.51613 11.00261 3.25081 -131.97643 1336.73936
450.0000 -142.57813 -131.92343 10.65470 3.29619 -131.26549 1388.82999
455.0000 -142.48162 -134.98693 7.49468 3.20133 -132.75149 1271.70250
460.0000 -145.60341 -135.76104 9.84237 3.03953 -135.28612 1198.78739
465.0000 -143.32767 -133.98637 9.34130 3.06801 -134.83995 1233.82037
470.0000 -146.55967 -135.13079 11.42889 3.11230 -134.14614 1287.38476
475.0000 -143.25988 -134.04486 9.21502 3.12374 -133.96697 1256.13073
480.0000 -142.74571 -132.63986 10.10584 3.13472 -133.79488 1246.71782
485.0000 -143.28089 -132.49289 10.78800 3.16883 -133.26055 1284.04151
490.0000 -144.17527 -134.36792 9.80735 3.11243 -134.14410 1235.17154
495.0000 -142.26789 -131.44873 10.81916 3.15847 -133.42289 1241.22409
500.0000 -139.81726 -128.15110 11.66616 3.30317 -131.15619 1369.47201
FREEZING PROCESS: loop number 3 T-loop= 1225.0000000000000
main_MD> interactions number 3 at Temperature= 1225.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.53367 -1.34587 -0.70502
force_rgl> df(natom) -1.04210 -1.16372 0.09135
505.0000 -144.49006 -134.69792 9.79214 3.31804 -130.92329 1391.08084
510.0000 -144.94499 -134.25444 10.69055 3.04331 -135.22679 1221.89681
515.0000 -144.07721 -135.05254 9.02467 2.97806 -136.24903 1180.49865
520.0000 -143.84243 -132.04549 11.79695 3.19926 -132.78395 1347.95253
525.0000 -142.58238 -129.90056 12.68181 3.29872 -131.22593 1384.31768
530.0000 -142.36710 -132.11303 10.25407 3.27270 -131.63343 1315.48126
535.0000 -142.85448 -132.52508 10.32940 3.11972 -134.02991 1254.65332
540.0000 -144.17951 -134.42000 9.75951 3.13476 -133.79424 1305.50847
545.0000 -144.01003 -135.69222 8.31781 3.05700 -135.01232 1219.99698
550.0000 -144.34610 -134.83847 9.50764 3.08153 -134.62810 1210.73035
555.0000 -143.84272 -133.02954 10.81318 3.12299 -133.97861 1271.79401
560.0000 -142.73567 -131.30272 11.43295 3.28938 -131.37221 1364.69521
565.0000 -142.86282 -131.26017 11.60266 3.29866 -131.22676 1365.50819
570.0000 -143.83684 -135.31215 8.52468 3.16040 -133.39259 1285.96216
575.0000 -146.44777 -137.75832 8.68944 2.92834 -137.02777 1115.58950
580.0000 -144.17291 -134.99494 9.17797 2.95639 -136.58841 1126.18916
585.0000 -144.02655 -135.11784 8.90871 3.01746 -135.63182 1186.19555
590.0000 -145.70169 -135.62873 10.07296 3.00323 -135.85473 1198.23884
595.0000 -145.30428 -135.31690 9.98737 3.03649 -135.33363 1213.37726
600.0000 -144.36721 -133.70412 10.66309 3.12707 -133.91472 1273.14623
605.0000 -145.82511 -136.33397 9.49114 3.03214 -135.40180 1200.44963
610.0000 -146.55006 -138.09248 8.45758 2.97953 -136.22589 1132.68205
615.0000 -143.97691 -133.66754 10.30937 2.98990 -136.06348 1166.40649
620.0000 -141.74505 -130.57355 11.17150 3.15037 -133.54976 1272.07732
625.0000 -142.94193 -133.85484 9.08709 3.13281 -133.82488 1273.71704
630.0000 -145.66329 -136.23371 9.42958 3.00270 -135.86306 1171.20942
635.0000 -145.58567 -136.02611 9.55956 3.01564 -135.66031 1195.54832
640.0000 -145.02868 -134.60216 10.42652 3.01034 -135.74326 1199.15430
645.0000 -142.91102 -133.61318 9.29784 3.19896 -132.78852 1314.10315
650.0000 -145.00619 -134.19900 10.80719 3.09088 -134.48170 1215.48039
655.0000 -144.91010 -134.62682 10.28329 3.10837 -134.20765 1232.79269
660.0000 -144.73015 -133.89193 10.83822 3.09853 -134.36181 1250.99982
665.0000 -145.53597 -134.92469 10.61127 3.07183 -134.78011 1226.63958
670.0000 -142.70268 -134.17686 8.52582 3.10638 -134.23890 1219.03406
675.0000 -143.51996 -132.18923 11.33073 3.16088 -133.38517 1264.53782
680.0000 -143.41920 -134.62040 8.79880 3.20404 -132.70904 1312.83168
685.0000 -142.99523 -132.94000 10.05523 3.17404 -133.17891 1289.96424
690.0000 -144.32606 -134.66925 9.65681 3.14684 -133.60498 1297.81542
695.0000 -143.89222 -134.39677 9.49545 3.11011 -134.18043 1281.52468
700.0000 -143.84838 -133.18601 10.66237 3.21009 -132.61417 1302.98442
705.0000 -141.90901 -132.48014 9.42887 3.25300 -131.94206 1354.41136
710.0000 -143.96910 -133.44564 10.52345 3.14915 -133.56883 1269.17988
715.0000 -145.13819 -136.01964 9.11854 3.03138 -135.41375 1210.47474
720.0000 -142.98277 -133.81112 9.17165 3.01494 -135.67117 1180.85770
725.0000 -146.79600 -135.78935 11.00664 3.06750 -134.84784 1225.03042
730.0000 -146.50218 -137.99196 8.51022 2.97491 -136.29824 1125.25155
735.0000 -145.57488 -136.80086 8.77402 2.87295 -137.89557 1103.34901
740.0000 -145.94114 -135.98320 9.95795 2.97340 -136.32201 1133.82914
745.0000 -144.05059 -135.94904 8.10155 3.03859 -135.30084 1188.08906
750.0000 -146.27800 -136.28363 9.99437 2.96593 -136.43903 1168.34023
FREEZING PROCESS: loop number 4 T-loop= 1200.0000000000000
main_MD> interactions number 4 at Temperature= 1200.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.19577 0.00739 0.50747
force_rgl> df(natom) -1.74247 -0.08238 0.17959
755.0000 -145.05841 -137.17764 7.88076 2.96244 -136.49370 1141.40043
760.0000 -146.31433 -136.13615 10.17818 2.97971 -136.22310 1195.72666
765.0000 -143.83401 -135.30919 8.52482 3.01216 -135.71480 1175.95941
770.0000 -146.44926 -136.54428 9.90498 2.96454 -136.46082 1164.80051
775.0000 -146.27687 -136.64579 9.63108 2.93300 -136.95476 1155.89854
780.0000 -145.65876 -135.74058 9.91817 2.94430 -136.77780 1146.59334
785.0000 -144.27744 -135.01317 9.26427 3.06083 -134.95237 1229.26352
790.0000 -144.82170 -133.30511 11.51659 3.16233 -133.36238 1280.30755
795.0000 -144.36755 -134.18399 10.18356 3.11915 -134.03878 1203.89112
800.0000 -144.54783 -133.87606 10.67178 3.04170 -135.25207 1179.53926
805.0000 -145.63823 -135.12991 10.50832 3.06020 -134.96220 1243.02671
810.0000 -145.94488 -134.36498 11.57991 3.05023 -135.11838 1181.90089
815.0000 -143.88960 -134.75106 9.13854 3.04507 -135.19933 1200.35965
820.0000 -145.95420 -137.54563 8.40857 3.02071 -135.58085 1168.23601
825.0000 -146.25513 -135.30566 10.94946 2.96011 -136.53019 1129.00524
830.0000 -145.20114 -136.16387 9.03728 2.98037 -136.21273 1135.89730
835.0000 -145.36574 -134.96354 10.40221 3.06605 -134.87060 1200.35733
840.0000 -143.37868 -134.30424 9.07444 3.08974 -134.49949 1234.28744
845.0000 -145.06801 -133.64219 11.42581 3.08577 -134.56170 1238.87868
850.0000 -144.05702 -134.05100 10.00603 3.11303 -134.13464 1266.15544
855.0000 -142.58225 -131.46956 11.11269 3.14456 -133.64074 1285.62971
860.0000 -143.84762 -133.77230 10.07533 3.16853 -133.26526 1306.66949
865.0000 -143.08505 -132.56522 10.51983 3.15218 -133.52134 1291.71039
870.0000 -146.73557 -135.34845 11.38713 3.05553 -135.03549 1215.80290
875.0000 -145.04007 -135.02771 10.01236 3.08578 -134.56159 1236.33233
880.0000 -144.90881 -133.99482 10.91400 3.09376 -134.43648 1228.41576
885.0000 -144.55434 -134.75363 9.80071 3.13524 -133.78669 1299.27816
890.0000 -144.32247 -134.31201 10.01046 3.06471 -134.89168 1237.30375
895.0000 -142.23871 -132.78629 9.45242 3.15181 -133.52719 1293.60905
900.0000 -145.30892 -134.19677 11.11214 3.10779 -134.21681 1282.56302
905.0000 -143.31622 -134.16362 9.15260 3.12668 -133.92092 1259.50800
910.0000 -144.71423 -134.78880 9.92543 3.07036 -134.80305 1226.68280
915.0000 -144.87874 -135.27343 9.60531 3.05802 -134.99635 1219.18689
920.0000 -146.00575 -136.49494 9.51081 2.99213 -136.02856 1169.24649
925.0000 -146.61985 -137.73466 8.88519 2.91188 -137.28571 1123.97263
930.0000 -145.13765 -135.33327 9.80438 2.92836 -137.02754 1112.34899
935.0000 -145.72322 -136.08837 9.63485 3.01088 -135.73479 1194.08843
940.0000 -146.54474 -136.35934 10.18540 3.00056 -135.89657 1209.09480
945.0000 -146.59047 -136.89252 9.69795 2.93121 -136.98295 1146.70736
950.0000 -144.11584 -135.35656 8.75928 2.97600 -136.28120 1120.49111
955.0000 -144.22677 -134.29910 9.92767 3.13256 -133.82872 1262.49647
960.0000 -143.98910 -134.18221 9.80690 3.08123 -134.63284 1221.18029
965.0000 -144.90061 -134.72207 10.17854 3.07814 -134.68124 1201.78508
970.0000 -145.82796 -133.84098 11.98698 3.09591 -134.40285 1258.89420
975.0000 -143.23151 -134.76515 8.46636 3.13819 -133.74048 1240.36638
980.0000 -144.77043 -135.03038 9.74004 3.01405 -135.68525 1136.79770
985.0000 -145.03540 -137.20488 7.83052 2.92069 -137.14770 1060.49347
990.0000 -145.06814 -136.73817 8.32996 2.92371 -137.10037 1114.95466
995.0000 -145.65256 -137.06685 8.58571 2.91306 -137.26714 1123.02248
1000.0000 -146.00625 -135.48960 10.51665 2.97827 -136.24567 1151.66140
FREEZING PROCESS: loop number 5 T-loop= 1175.0000000000000
main_MD> interactions number 5 at Temperature= 1175.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.33885 -3.91998 -0.09082
force_rgl> df(natom) -2.78241 0.80351 -1.06123
1005.0000 -143.25490 -134.05074 9.20417 3.08050 -134.64422 1225.51488
1010.0000 -147.46465 -138.29315 9.17150 2.98214 -136.18502 1140.78858
1015.0000 -145.53375 -136.85971 8.67404 2.90528 -137.38914 1084.18760
1020.0000 -145.60163 -138.04373 7.55790 2.89560 -137.54073 1074.71858
1025.0000 -145.51865 -136.56716 8.95149 2.95416 -136.62329 1120.28862
1030.0000 -144.08116 -135.44224 8.63891 3.04247 -135.23997 1211.53299
1035.0000 -147.29424 -135.05137 12.24287 3.05360 -135.06568 1207.68337
1040.0000 -144.81925 -134.90076 9.91850 3.07636 -134.70910 1236.60329
1045.0000 -145.16196 -135.32779 9.83417 3.07215 -134.77506 1239.55942
1050.0000 -146.26476 -138.85795 7.40681 2.87362 -137.88497 1081.35523
1055.0000 -147.93227 -137.59172 10.34054 2.81047 -138.87432 1042.54896
1060.0000 -145.84797 -135.97635 9.87162 3.02070 -135.58103 1176.63045
1065.0000 -145.96155 -136.34526 9.61629 2.98627 -136.12038 1165.49112
1070.0000 -145.62642 -136.35799 9.26843 2.96563 -136.44366 1182.67918
1075.0000 -144.05343 -135.19410 8.85933 3.04166 -135.25273 1212.70792
1080.0000 -144.42506 -134.23918 10.18588 3.07749 -134.69135 1200.10905
1085.0000 -143.56199 -135.91062 7.65137 3.09286 -134.45060 1262.08276
1090.0000 -145.91934 -136.82802 9.09132 2.96108 -136.51500 1145.09184
1095.0000 -146.14380 -136.05225 10.09155 2.94741 -136.72912 1142.29547
1100.0000 -145.68553 -136.86656 8.81897 3.01470 -135.67493 1173.29613
1105.0000 -144.68073 -135.34271 9.33802 2.96108 -136.51501 1147.13874
1110.0000 -145.41294 -135.92670 9.48624 2.99972 -135.90964 1146.83095
1115.0000 -144.68001 -134.47730 10.20271 2.99032 -136.05690 1136.49071
1120.0000 -144.01251 -133.29153 10.72098 3.11956 -134.03232 1281.03169
1125.0000 -144.38925 -135.55257 8.83668 3.06330 -134.91366 1201.76096
1130.0000 -145.27953 -136.92314 8.35639 2.99584 -135.97045 1181.56920
1135.0000 -147.70210 -138.46053 9.24157 2.89346 -137.57429 1090.71206
1140.0000 -146.06849 -137.71999 8.34851 2.88395 -137.72315 1088.97921
1145.0000 -145.51284 -136.54832 8.96451 2.94045 -136.83818 1114.37427
1150.0000 -144.04342 -136.34672 7.69670 2.91358 -137.25898 1094.53907
1155.0000 -144.76133 -133.57089 11.19044 3.01530 -135.66555 1191.33871
1160.0000 -144.22816 -135.02274 9.20542 3.04325 -135.22782 1243.64850
1165.0000 -144.98417 -135.43026 9.55391 3.00194 -135.87482 1162.91631
1170.0000 -144.21387 -136.67993 7.53394 2.89368 -137.57078 1120.84751
1175.0000 -144.67614 -136.25496 8.42119 2.96433 -136.46404 1088.65350
1180.0000 -147.13164 -138.38068 8.75096 2.85696 -138.14597 1073.97181
1185.0000 -147.36403 -138.96217 8.40186 2.81275 -138.83858 1016.80579
1190.0000 -145.52432 -135.18296 10.34136 2.94029 -136.84060 1133.78667
1195.0000 -144.81852 -136.28502 8.53350 3.03937 -135.28862 1217.35673
1200.0000 -146.12891 -137.37613 8.75278 2.91360 -137.25878 1115.69871
1205.0000 -145.25551 -135.39961 9.85590 2.98087 -136.20495 1163.82839
1210.0000 -147.99845 -138.35799 9.64047 2.85973 -138.10263 1080.80464
1215.0000 -145.97792 -136.11745 9.86047 2.90406 -137.40813 1088.29051
1220.0000 -146.38014 -137.81649 8.56365 2.96397 -136.46967 1126.67832
1225.0000 -146.59548 -137.64610 8.94938 2.89022 -137.62492 1081.61644
1230.0000 -145.15624 -134.57951 10.57673 2.93920 -136.85768 1080.51898
1235.0000 -145.06150 -134.63561 10.42589 3.08392 -134.59062 1217.52193
1240.0000 -144.65118 -136.19914 8.45205 3.01718 -135.63619 1164.54781
1245.0000 -144.67126 -136.61526 8.05600 3.00561 -135.81744 1162.69274
1250.0000 -144.36201 -135.43695 8.92506 2.99910 -135.91937 1187.41059
FREEZING PROCESS: loop number 6 T-loop= 1150.0000000000000
main_MD> interactions number 6 at Temperature= 1150.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.01953 3.37526 -12.51570
force_rgl> df(natom) -0.79485 1.53680 -0.90369
1255.0000 -145.22261 -135.32603 9.89658 2.96690 -136.42377 1127.10429
1260.0000 -143.14357 -134.09729 9.04628 3.09020 -134.49228 1210.99976
1265.0000 -144.73411 -135.48152 9.25260 3.04279 -135.23497 1209.69814
1270.0000 -144.94911 -135.85065 9.09846 2.97883 -136.23683 1159.72785
1275.0000 -148.38092 -139.25381 9.12711 2.84827 -138.28210 1055.60751
1280.0000 -146.40532 -137.15929 9.24603 2.87187 -137.91242 1075.65566
1285.0000 -147.10579 -136.64213 10.46367 2.94042 -136.83855 1087.87458
1290.0000 -146.39767 -137.53642 8.86125 2.91038 -137.30920 1132.34307
1295.0000 -147.52973 -136.81664 10.71309 2.98805 -136.09246 1159.69540
1300.0000 -145.96416 -138.31939 7.64477 2.86009 -138.09689 1082.40278
1305.0000 -148.15278 -138.90990 9.24288 2.78277 -139.30813 1017.21230
1310.0000 -144.39612 -135.45426 8.94185 2.92866 -137.02281 1127.66374
1315.0000 -143.82797 -131.84756 11.98042 3.10296 -134.29243 1266.02331
1320.0000 -146.70280 -137.14346 9.55935 3.10943 -134.19109 1257.80918
1325.0000 -145.84875 -138.78007 7.06868 2.81157 -138.85707 1047.41994
1330.0000 -146.87820 -138.75994 8.11825 2.83155 -138.54409 1029.05600
1335.0000 -145.81213 -136.29658 9.51555 2.92926 -137.01340 1103.96193
1340.0000 -145.70725 -135.64711 10.06014 2.97830 -136.24523 1164.67514
1345.0000 -146.72014 -138.01580 8.70434 2.95008 -136.68725 1156.15919
1350.0000 -148.18419 -140.70043 7.48376 2.79297 -139.14836 1016.94636
1355.0000 -147.07260 -138.13134 8.94126 2.80527 -138.95573 1040.69210
1360.0000 -145.72249 -135.58217 10.14032 2.93687 -136.89417 1127.18702
1365.0000 -142.80486 -134.78323 8.02163 3.04115 -135.26067 1202.40709
1370.0000 -143.13733 -133.85570 9.28163 3.09579 -134.40479 1256.15492
1375.0000 -145.88993 -136.78974 9.10018 3.05153 -135.09811 1200.81521
1380.0000 -144.75415 -136.27291 8.48124 2.95219 -136.65429 1160.29756
1385.0000 -145.41905 -135.31297 10.10608 3.01295 -135.70243 1168.06822
1390.0000 -144.08761 -135.58732 8.50029 2.98610 -136.12307 1143.35139
1395.0000 -145.30309 -135.81950 9.48359 3.05166 -135.09600 1189.76663
1400.0000 -146.27371 -137.31538 8.95834 2.98498 -136.14049 1151.50178
1405.0000 -147.28875 -137.64898 9.63977 2.90830 -137.34175 1114.19302
1410.0000 -146.21745 -138.09757 8.11988 2.87497 -137.86384 1085.53748
1415.0000 -146.72554 -138.10932 8.61622 2.86746 -137.98147 1048.80316
1420.0000 -146.59043 -136.83891 9.75152 2.86697 -137.98925 1096.59837
1425.0000 -143.65663 -134.14733 9.50930 3.10555 -134.25187 1235.28298
1430.0000 -145.42292 -135.95550 9.46742 3.08788 -134.52860 1256.14553
1435.0000 -145.62099 -137.15930 8.46168 2.98792 -136.09455 1138.61184
1440.0000 -145.70672 -135.09572 10.61101 2.98144 -136.19602 1161.13412
1445.0000 -143.97057 -135.47598 8.49459 2.99343 -136.00824 1131.63791
1450.0000 -144.74785 -136.71317 8.03469 3.04926 -135.13363 1176.70659
1455.0000 -145.52854 -136.93410 8.59444 2.94034 -136.83985 1126.69932
1460.0000 -147.40084 -138.91438 8.48646 2.89938 -137.48145 1100.04030
1465.0000 -146.47306 -136.02170 10.45136 2.86456 -138.02689 1071.91089
1470.0000 -145.19309 -135.34518 9.84791 2.99776 -135.94036 1185.75418
1475.0000 -146.32878 -137.39562 8.93317 2.93782 -136.87927 1147.66123
1480.0000 -143.79447 -134.05963 9.73484 2.96789 -136.40823 1111.68736
1485.0000 -143.69958 -134.25250 9.44709 3.09148 -134.47220 1226.06431
1490.0000 -144.37985 -133.57631 10.80354 3.04475 -135.20425 1180.29258
1495.0000 -144.78175 -134.96795 9.81379 3.07705 -134.69825 1236.65784
1500.0000 -145.05634 -136.28682 8.76952 3.05819 -134.99379 1248.13729
FREEZING PROCESS: loop number 7 T-loop= 1125.0000000000000
main_MD> interactions number 7 at Temperature= 1125.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.02536 3.32319 2.83886
force_rgl> df(natom) -2.93925 1.45739 1.60103
1505.0000 -145.45169 -136.39345 9.05824 2.90677 -137.36574 1070.80906
1510.0000 -146.60424 -137.55980 9.04444 2.93944 -136.85401 1124.02324
1515.0000 -146.46610 -138.05650 8.40960 2.84749 -138.29434 1061.33075
1520.0000 -147.28950 -137.71442 9.57508 2.91041 -137.30865 1113.24788
1525.0000 -144.92067 -137.08439 7.83628 2.86950 -137.94953 1088.22518
1530.0000 -147.82549 -138.57880 9.24669 2.85735 -138.13991 1079.44023
1535.0000 -147.88272 -139.55145 8.33127 2.86140 -138.07644 1113.54706
1540.0000 -145.90693 -135.37311 10.53382 2.86938 -137.95140 1082.12456
1545.0000 -145.58401 -137.42764 8.15637 2.94861 -136.71030 1122.93604
1550.0000 -146.14415 -136.19463 9.94952 2.94143 -136.82271 1096.59728
1555.0000 -146.33987 -137.22194 9.11793 2.94088 -136.83136 1148.22387
1560.0000 -146.81336 -137.40559 9.40777 2.85446 -138.18518 1053.24106
1565.0000 -146.23894 -136.29896 9.93999 2.90244 -137.43358 1121.97735
1570.0000 -146.64120 -136.25859 10.38261 3.02861 -135.45705 1200.75907
1575.0000 -145.43353 -136.65885 8.77467 2.97875 -136.23816 1166.16825
1580.0000 -147.43594 -138.50920 8.92674 2.91191 -137.28527 1098.89445
1585.0000 -144.88332 -135.99037 8.89295 2.91256 -137.27503 1084.25268
1590.0000 -145.62440 -136.16879 9.45561 3.06111 -134.94803 1207.05596
1595.0000 -146.28409 -136.87760 9.40649 3.06005 -134.96455 1193.59379
1600.0000 -147.16966 -138.29897 8.87069 2.91762 -137.19579 1094.15752
1605.0000 -148.48920 -138.93796 9.55124 2.86608 -138.00308 1082.21211
1610.0000 -145.00988 -135.05619 9.95369 2.97266 -136.33357 1160.05695
1615.0000 -146.34703 -136.36340 9.98363 2.96771 -136.41115 1138.95566
1620.0000 -144.40961 -135.91062 8.49899 2.96787 -136.40866 1125.70766
1625.0000 -145.32479 -135.55849 9.76630 3.03083 -135.42234 1215.33227
1630.0000 -146.65002 -137.15918 9.49084 3.02111 -135.57462 1157.81139
1635.0000 -147.82924 -139.83863 7.99061 2.85431 -138.18747 1027.70972
1640.0000 -146.07118 -137.75203 8.31915 2.87351 -137.88675 1076.96934
1645.0000 -146.95215 -138.51531 8.43684 2.84472 -138.33779 1037.39917
1650.0000 -145.46368 -138.49096 6.97272 2.81275 -138.83850 1025.06057
1655.0000 -146.45138 -136.86013 9.59124 2.86234 -138.06164 1082.00265
1660.0000 -147.48514 -139.65096 7.83418 2.86389 -138.03738 1105.81445
1665.0000 -145.23074 -136.04836 9.18238 2.88268 -137.74309 1097.91810
1670.0000 -145.16042 -135.17936 9.98106 3.00065 -135.89514 1145.48190
1675.0000 -144.15543 -134.30511 9.85031 3.02502 -135.51336 1182.34639
1680.0000 -145.31029 -137.19053 8.11976 2.99226 -136.02658 1124.36518
1685.0000 -145.17354 -136.94565 8.22790 2.93553 -136.91526 1160.49455
1690.0000 -147.36705 -138.45411 8.91294 2.88422 -137.71891 1088.08924
1695.0000 -145.80301 -136.27639 9.52662 2.92088 -137.14468 1090.54528
1700.0000 -144.16571 -134.95893 9.20678 3.06949 -134.81671 1245.04319
1705.0000 -147.08745 -138.08199 9.00546 2.90741 -137.35564 1116.09275
1710.0000 -145.91842 -137.79664 8.12178 2.90141 -137.44962 1122.97928
1715.0000 -145.08519 -136.70831 8.37688 2.91157 -137.29059 1092.19858
1720.0000 -144.48873 -135.38611 9.10262 2.95436 -136.62031 1130.77680
1725.0000 -146.76600 -136.18329 10.58270 2.98635 -136.11909 1190.93879
1730.0000 -144.73214 -137.68498 7.04716 2.99362 -136.00526 1206.31231
1735.0000 -144.96994 -136.01920 8.95075 2.96226 -136.49650 1146.57761
1740.0000 -147.03667 -138.47792 8.55875 2.95789 -136.56488 1128.11634
1745.0000 -147.34957 -139.00173 8.34784 2.83374 -138.50971 1034.60919
1750.0000 -147.56578 -137.53394 10.03185 2.84461 -138.33939 1062.76600
FREEZING PROCESS: loop number 8 T-loop= 1100.0000000000000
main_MD> interactions number 8 at Temperature= 1100.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.67031 1.52102 -1.52230
force_rgl> df(natom) -0.86949 0.84440 0.51828
1755.0000 -146.51633 -136.33298 10.18336 2.96761 -136.41260 1144.29161
1760.0000 -148.11948 -139.83002 8.28946 2.87813 -137.81439 1057.66572
1765.0000 -144.38954 -135.89361 8.49592 2.89625 -137.53057 1088.40696
1770.0000 -146.79345 -137.03965 9.75380 2.93405 -136.93834 1095.25448
1775.0000 -146.06798 -136.64626 9.42172 2.95757 -136.56992 1160.45243
1780.0000 -146.18231 -135.94127 10.24103 2.99232 -136.02555 1184.43353
1785.0000 -146.67038 -138.40656 8.26382 2.97530 -136.29228 1192.28110
1790.0000 -147.86106 -138.29711 9.56395 2.81786 -138.75855 1067.82096
1795.0000 -146.82084 -137.50868 9.31217 2.90657 -137.36893 1132.10388
1800.0000 -146.10943 -138.23294 7.87649 2.90875 -137.33473 1059.58911
1805.0000 -147.53989 -138.68651 8.85338 2.83610 -138.47277 1042.30394
1810.0000 -146.63010 -136.85883 9.77127 2.86766 -137.97835 1051.72609
1815.0000 -144.42811 -135.62340 8.80471 3.01260 -135.70785 1170.51421
1820.0000 -145.51760 -137.51797 7.99964 2.94875 -136.70809 1147.74191
1825.0000 -144.88636 -137.19916 7.68720 2.92359 -137.10223 1117.09603
1830.0000 -146.24033 -138.87920 7.36113 2.89257 -137.58814 1088.34805
1835.0000 -148.78986 -138.70125 10.08861 2.84683 -138.30468 1081.08447
1840.0000 -145.90310 -136.52420 9.37890 2.90730 -137.35738 1079.17387
1845.0000 -144.61482 -136.52393 8.09088 2.92874 -137.02156 1058.65526
1850.0000 -145.07814 -135.37454 9.70360 2.98563 -136.13036 1136.02308
1855.0000 -145.33119 -135.51172 9.81947 3.07479 -134.73363 1221.13080
1860.0000 -146.99112 -137.82110 9.17002 2.89576 -137.53820 1058.95001
1865.0000 -146.34442 -138.04158 8.30284 2.88344 -137.73117 1084.28170
1870.0000 -145.73246 -137.82016 7.91231 2.90008 -137.47046 1079.70875
1875.0000 -144.79518 -135.83890 8.95627 2.98099 -136.20302 1127.02433
1880.0000 -146.95103 -138.52536 8.42568 2.92282 -137.11436 1108.19487
1885.0000 -145.55281 -137.54304 8.00977 2.83365 -138.51118 1036.42498
1890.0000 -145.74835 -137.44447 8.30388 2.91250 -137.27594 1063.07149
1895.0000 -147.93435 -140.21782 7.71653 2.87052 -137.93361 1071.19843
1900.0000 -145.53095 -137.93153 7.59942 2.78875 -139.21447 1033.45667
1905.0000 -145.84347 -137.51854 8.32493 2.87172 -137.91470 1102.87569
1910.0000 -146.13053 -137.05270 9.07783 2.92063 -137.14855 1126.72077
1915.0000 -145.13185 -136.89221 8.23964 2.90808 -137.34526 1072.31242
1920.0000 -145.83354 -137.78659 8.04695 2.96634 -136.43258 1159.36086
1925.0000 -148.13667 -138.34092 9.79575 2.86129 -138.07810 1070.34529
1930.0000 -145.55531 -137.13261 8.42269 2.88171 -137.75833 1076.86680
1935.0000 -144.66076 -136.44821 8.21255 2.97212 -136.34203 1160.64295
1940.0000 -143.69874 -134.53940 9.15935 2.97370 -136.31733 1157.08322
1945.0000 -145.27947 -135.59552 9.68395 3.04109 -135.26154 1221.19911
1950.0000 -146.70508 -136.87138 9.83370 2.94215 -136.81148 1150.06629
1955.0000 -148.64654 -139.08405 9.56249 2.86083 -138.08542 1075.78677
1960.0000 -144.30361 -135.38352 8.92009 2.87129 -137.92148 1078.49545
1965.0000 -144.73367 -135.66397 9.06969 3.10476 -134.26426 1247.42892
1970.0000 -144.94086 -134.40253 10.53833 3.04885 -135.14007 1172.71179
1975.0000 -144.01444 -134.99332 9.02112 3.08648 -134.55056 1219.02243
1980.0000 -145.75974 -136.97661 8.78313 2.97092 -136.36084 1204.98241
1985.0000 -146.84626 -137.19147 9.65479 2.87062 -137.93201 1094.97996
1990.0000 -146.31296 -137.83587 8.47709 2.85024 -138.25125 1070.65400
1995.0000 -146.29573 -138.70813 7.58760 2.88141 -137.76295 1073.08891
2000.0000 -147.26086 -138.73913 8.52174 2.84711 -138.30023 1088.55857
FREEZING PROCESS: loop number 9 T-loop= 1075.0000000000000
main_MD> interactions number 9 at Temperature= 1075.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.19619 -1.66026 -0.12182
force_rgl> df(natom) 3.09169 0.24663 0.63083
2005.0000 -148.74807 -139.59875 9.14932 2.78498 -139.27361 1003.49819
2010.0000 -148.02143 -139.12410 8.89733 2.79155 -139.17069 1037.35553
2015.0000 -146.85943 -137.81233 9.04710 2.83288 -138.52316 1046.83317
2020.0000 -145.36906 -135.74458 9.62448 2.89175 -137.60103 1093.02625
2025.0000 -146.12012 -139.09393 7.02619 2.90764 -137.35204 1056.57629
2030.0000 -146.11260 -136.86644 9.24616 2.87663 -137.83780 1061.18701
2035.0000 -147.31065 -138.62854 8.68211 2.89658 -137.52538 1074.27296
2040.0000 -149.27761 -138.72522 10.55239 2.79342 -139.14137 1020.87321
2045.0000 -144.46838 -136.04279 8.42559 2.91713 -137.20346 1135.98178
2050.0000 -145.87696 -136.28714 9.58982 2.98340 -136.16531 1175.48712
2055.0000 -147.55652 -137.94272 9.61380 2.90795 -137.34719 1103.04582
2060.0000 -148.34278 -139.89227 8.45051 2.79705 -139.08445 1012.64984
2065.0000 -147.64171 -138.88202 8.75968 2.77747 -139.39127 1014.73792
2070.0000 -147.80340 -139.19470 8.60870 2.81035 -138.87614 1017.94996
2075.0000 -148.43336 -141.44573 6.98763 2.75621 -139.72427 960.27799
2080.0000 -145.58777 -138.08405 7.50372 2.76666 -139.56050 993.28501
2085.0000 -145.59363 -138.15577 7.43785 2.84620 -138.31455 1038.88270
2090.0000 -147.31714 -138.49108 8.82606 2.94548 -136.75939 1130.63578
2095.0000 -147.50258 -138.92735 8.57523 2.83664 -138.46436 1071.50828
2100.0000 -147.53352 -139.44060 8.09291 2.82559 -138.63744 1060.40885
2105.0000 -145.86421 -137.51090 8.35330 2.81854 -138.74780 1031.19098
2110.0000 -147.33002 -139.37347 7.95656 2.86564 -138.01007 1077.65489
2115.0000 -146.28054 -138.21603 8.06452 2.84893 -138.27175 1077.51907
2120.0000 -145.98908 -138.31696 7.67212 2.87974 -137.78919 1082.51137
2125.0000 -145.19310 -137.16951 8.02359 2.75606 -139.72655 1004.38458
2130.0000 -146.41657 -136.94112 9.47545 2.90646 -137.37056 1112.77743
2135.0000 -146.94287 -138.44511 8.49776 2.82468 -138.65163 1069.74277
2140.0000 -145.37811 -136.91795 8.46016 2.83039 -138.56217 1017.51606
2145.0000 -144.78027 -135.40980 9.37047 2.97603 -136.28078 1128.37291
2150.0000 -145.38387 -137.08247 8.30140 2.94922 -136.70081 1125.56023
2155.0000 -147.49383 -137.59856 9.89527 2.86670 -137.99337 1107.22361
2160.0000 -146.21544 -136.80454 9.41089 2.92215 -137.12486 1074.51158
2165.0000 -145.83299 -137.58372 8.24927 2.90712 -137.36027 1091.65463
2170.0000 -147.23197 -138.21940 9.01257 2.93414 -136.93702 1176.50583
2175.0000 -147.96511 -138.62569 9.33942 2.85710 -138.14376 1066.11305
2180.0000 -146.69265 -137.16090 9.53175 2.88470 -137.71148 1128.20019
2185.0000 -146.75579 -138.68884 8.06695 2.89236 -137.59140 1092.39995
2190.0000 -146.03383 -138.62051 7.41333 2.86119 -138.07979 1056.04057
2195.0000 -147.73285 -139.81801 7.91484 2.79963 -139.04403 1008.99787
2200.0000 -145.71391 -137.68552 8.02838 2.81695 -138.77276 1035.45432
2205.0000 -146.03786 -137.47778 8.56009 2.85669 -138.15026 1106.27985
2210.0000 -145.36605 -135.78334 9.58271 2.97450 -136.30470 1154.31435
2215.0000 -147.06375 -136.55636 10.50739 3.01013 -135.74660 1186.26703
2220.0000 -145.91514 -136.84110 9.07404 2.93578 -136.91127 1131.04142
2225.0000 -146.11754 -136.17872 9.93882 2.99604 -135.96734 1168.46398
2230.0000 -145.01519 -136.24450 8.77069 2.97243 -136.33713 1107.82318
2235.0000 -146.03402 -137.45620 8.57783 2.88581 -137.69401 1090.77782
2240.0000 -146.98780 -138.05604 8.93176 2.80026 -139.03415 996.84516
2245.0000 -147.43760 -139.10949 8.32810 2.84480 -138.33650 1037.76260
2250.0000 -146.79548 -137.61304 9.18244 2.87498 -137.86377 1085.00695
FREEZING PROCESS: loop number 10 T-loop= 1050.0000000000000
main_MD> interactions number 10 at Temperature= 1050.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.28247 -1.04421 -2.28027
force_rgl> df(natom) -0.22391 -1.64364 -0.94941
2255.0000 -147.52024 -138.00327 9.51696 2.87607 -137.84659 1081.79127
2260.0000 -146.87095 -138.21500 8.65595 2.79054 -139.18643 1005.96288
2265.0000 -147.53752 -140.30335 7.23417 2.78131 -139.33108 993.46509
2270.0000 -146.55926 -138.42961 8.12965 2.74700 -139.86858 958.10043
2275.0000 -147.33978 -139.00359 8.33619 2.83196 -138.53768 1057.06721
2280.0000 -146.89249 -138.21475 8.67774 2.78024 -139.34780 993.52468
2285.0000 -145.50254 -137.18455 8.31798 2.93503 -136.92300 1115.75429
2290.0000 -146.90741 -139.14708 7.76033 2.81926 -138.73656 1027.17777
2295.0000 -148.39247 -140.54377 7.84869 2.73289 -140.08957 1002.57855
2300.0000 -146.14958 -138.23219 7.91739 2.80104 -139.02203 1051.57507
2305.0000 -143.76964 -136.56872 7.20093 2.85923 -138.11049 1058.41910
2310.0000 -146.23349 -137.43034 8.80315 2.90516 -137.39088 1095.29583
2315.0000 -146.42860 -137.88671 8.54189 2.96329 -136.48030 1116.93392
2320.0000 -144.63970 -135.14549 9.49421 2.98185 -136.18964 1128.19252
2325.0000 -147.24362 -138.54000 8.70362 2.91825 -137.18591 1106.99839
2330.0000 -147.50490 -138.67919 8.82571 2.84333 -138.35955 1065.66897
2335.0000 -147.54148 -139.60696 7.93453 2.83440 -138.49944 1075.96929
2340.0000 -147.99589 -139.69613 8.29977 2.76294 -139.61873 1029.99883
2345.0000 -146.95216 -139.51754 7.43463 2.80895 -138.89804 1002.23193
2350.0000 -145.86642 -137.85845 8.00797 2.85849 -138.12202 1006.78455
2355.0000 -146.56839 -138.26054 8.30785 2.80443 -138.96886 1015.51908
2360.0000 -146.82106 -140.21338 6.60768 2.80378 -138.97900 1022.23921
2365.0000 -147.86206 -140.29832 7.56374 2.74467 -139.90498 975.06127
2370.0000 -147.28851 -139.24012 8.04839 2.77133 -139.48744 989.38865
2375.0000 -146.33079 -138.28830 8.04249 2.80751 -138.92069 1030.85402
2380.0000 -146.65254 -138.99583 7.65670 2.83144 -138.54583 1056.96817
2385.0000 -145.84191 -137.71269 8.12923 2.89773 -137.50729 1089.43450
2390.0000 -146.92640 -138.15400 8.77240 2.94115 -136.82720 1141.25228
2395.0000 -147.45249 -139.07949 8.37300 2.79464 -139.12216 1042.89236
2400.0000 -146.68398 -138.34484 8.33915 2.81370 -138.82370 1058.96484
2405.0000 -144.46144 -136.87929 7.58216 2.88424 -137.71865 1070.21162
2410.0000 -146.27367 -137.74735 8.52632 2.88193 -137.75480 1131.62694
2415.0000 -147.73734 -139.66509 8.07225 2.88496 -137.70743 1071.99483
2420.0000 -148.41933 -139.85372 8.56561 2.77353 -139.45299 1009.32369
2425.0000 -146.14694 -137.41656 8.73038 2.83799 -138.44319 1024.20519
2430.0000 -147.52583 -138.17673 9.34911 2.91609 -137.21970 1096.86014
2435.0000 -146.76672 -139.22382 7.54291 2.80625 -138.94040 1047.28697
2440.0000 -147.32657 -138.86494 8.46164 2.79352 -139.13974 1024.60259
2445.0000 -144.69177 -136.09896 8.59281 2.92435 -137.09040 1115.81310
2450.0000 -143.43028 -136.48782 6.94246 3.00137 -135.88376 1193.48475
2455.0000 -147.24433 -138.17212 9.07221 2.94131 -136.82460 1114.81274
2460.0000 -144.37284 -136.54838 7.82446 2.91726 -137.20133 1098.85588
2465.0000 -146.70980 -137.98846 8.72133 2.89602 -137.53418 1090.40795
2470.0000 -147.72639 -139.79678 7.92961 2.81065 -138.87137 1026.47920
2475.0000 -146.18319 -137.63585 8.54734 2.88276 -137.74176 1068.30998
2480.0000 -145.60197 -135.69065 9.91132 3.01262 -135.70754 1164.41202
2485.0000 -148.44621 -138.50699 9.93921 2.93404 -136.93856 1144.37877
2490.0000 -148.11481 -140.64233 7.47249 2.71125 -140.42851 978.00875
2495.0000 -147.56257 -139.77567 7.78690 2.77240 -139.47056 1019.61153
2500.0000 -145.52694 -136.73682 8.79012 2.83926 -138.42333 1074.92539
FREEZING PROCESS: loop number 11 T-loop= 1025.0000000000000
main_MD> interactions number 11 at Temperature= 1025.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.25165 4.01954 3.10321
force_rgl> df(natom) -4.12763 5.40980 2.03801
2505.0000 -147.86731 -138.50772 9.35959 2.87763 -137.82214 1065.12869
2510.0000 -147.59161 -139.48422 8.10739 2.81325 -138.83066 1053.83359
2515.0000 -148.67365 -139.18005 9.49359 2.70747 -140.48768 971.31650
2520.0000 -148.08150 -138.83764 9.24386 2.84331 -138.35979 1057.40232
2525.0000 -148.74400 -139.66547 9.07853 2.79424 -139.12843 1004.37460
2530.0000 -149.11372 -142.49932 6.61440 2.68804 -140.79216 931.81331
2535.0000 -148.30392 -140.51730 7.78662 2.68054 -140.90952 934.42010
2540.0000 -148.55296 -141.33456 7.21841 2.64129 -141.52441 931.38099
2545.0000 -147.62916 -140.90430 6.72486 2.66261 -141.19041 926.96858
2550.0000 -146.72912 -138.17929 8.54983 2.75163 -139.79599 954.76554
2555.0000 -147.75635 -140.34036 7.41599 2.76903 -139.52336 1009.73623
2560.0000 -147.46262 -139.58195 7.88067 2.70939 -140.45767 978.05154
2565.0000 -147.15560 -138.46133 8.69427 2.80597 -138.94476 1038.62710
2570.0000 -147.86556 -139.06735 8.79821 2.80261 -138.99743 1016.31926
2575.0000 -145.92068 -137.02170 8.89898 2.87732 -137.82699 1077.73963
2580.0000 -147.82279 -138.63725 9.18555 2.86118 -138.07995 1060.83986
2585.0000 -148.37284 -140.46429 7.90856 2.78709 -139.24055 1048.36726
2590.0000 -148.33669 -140.44949 7.88721 2.63165 -141.67542 917.44892
2595.0000 -148.47733 -140.33385 8.14347 2.73035 -140.12939 995.37249
2600.0000 -148.70937 -140.09036 8.61900 2.71203 -140.41626 965.10131
2605.0000 -149.58093 -139.95188 9.62905 2.78193 -139.32130 995.39968
2610.0000 -148.62122 -140.45720 8.16402 2.82256 -138.68484 1072.02743
2615.0000 -147.29310 -139.36672 7.92638 2.77303 -139.46075 1016.69663
2620.0000 -146.92138 -139.78829 7.13308 2.74618 -139.88131 983.02846
2625.0000 -147.16674 -137.66100 9.50574 2.85349 -138.20042 1035.76115
2630.0000 -148.29768 -141.47139 6.82629 2.72806 -140.16512 961.39487
2635.0000 -149.22577 -141.13767 8.08810 2.64289 -141.49933 908.75547
2640.0000 -146.54339 -138.47482 8.06858 2.83144 -138.54572 1062.26897
2645.0000 -147.98651 -139.77619 8.21033 2.83933 -138.42212 1055.13129
2650.0000 -148.52982 -140.76018 7.76964 2.72071 -140.28036 977.00137
2655.0000 -146.17747 -139.05779 7.11968 2.72347 -140.23708 990.78616
2660.0000 -146.01413 -135.86104 10.15309 2.91825 -137.18591 1126.41244
2665.0000 -145.81052 -137.14860 8.66192 2.92503 -137.07971 1123.48574
2670.0000 -147.30620 -137.06777 10.23844 2.93162 -136.97651 1123.82903
2675.0000 -146.87080 -139.47690 7.39390 2.86918 -137.95453 1070.58638
2680.0000 -147.31875 -138.96116 8.35759 2.81081 -138.86900 1052.25089
2685.0000 -148.18713 -139.59681 8.59032 2.81972 -138.72928 1027.72650
2690.0000 -147.94688 -140.90181 7.04507 2.75263 -139.78024 983.16236
2695.0000 -148.32947 -141.12801 7.20146 2.66078 -141.21914 932.66131
2700.0000 -149.68167 -140.87624 8.80543 2.69657 -140.65853 944.95361
2705.0000 -146.62943 -139.93763 6.69181 2.70053 -140.59644 954.84734
2710.0000 -145.51450 -136.26077 9.25373 2.87355 -137.88612 1073.08329
2715.0000 -142.24089 -134.39543 7.84546 2.99001 -136.06170 1152.05983
2720.0000 -146.92143 -137.60643 9.31500 2.96584 -136.44033 1143.62021
2725.0000 -146.78132 -138.50078 8.28054 2.84987 -138.25713 1063.68632
2730.0000 -147.20080 -137.92933 9.27147 2.80665 -138.93402 1049.21807
2735.0000 -145.77225 -138.54416 7.22809 2.80083 -139.02530 1013.38331
2740.0000 -147.00791 -138.72206 8.28585 2.82861 -138.59007 1055.55447
2745.0000 -146.90142 -138.04955 8.85187 2.94588 -136.75314 1096.30729
2750.0000 -146.06988 -138.48362 7.58626 2.80002 -139.03789 1018.23983
FREEZING PROCESS: loop number 12 T-loop= 1000.0000000000000
main_MD> interactions number 12 at Temperature= 1000.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.22813 -0.22885 -0.10473
force_rgl> df(natom) 3.20092 6.10394 -0.99543
2755.0000 -146.48094 -138.47279 8.00815 2.86734 -137.98344 1076.75799
2760.0000 -149.05541 -142.78934 6.26607 2.69271 -140.71899 971.86603
2765.0000 -148.62430 -141.64461 6.97969 2.59434 -142.25997 863.42469
2770.0000 -148.78433 -141.41821 7.36611 2.65244 -141.34980 933.08934
2775.0000 -147.78640 -140.03687 7.74953 2.67711 -140.96336 950.37713
2780.0000 -147.34506 -138.35331 8.99174 2.77909 -139.36589 1017.57572
2785.0000 -147.16893 -137.51694 9.65199 2.85360 -138.19861 1078.97058
2790.0000 -145.94934 -137.81125 8.13810 2.90240 -137.43414 1080.93719
2795.0000 -146.18970 -138.92199 7.26771 2.86039 -138.09224 1034.09331
2800.0000 -147.59989 -140.47739 7.12249 2.79082 -139.18206 1013.04959
2805.0000 -148.02380 -140.00612 8.01768 2.72340 -140.23823 974.41324
2810.0000 -148.49393 -140.53286 7.96108 2.78557 -139.26434 1024.00589
2815.0000 -147.64015 -139.40842 8.23173 2.76599 -139.57107 1014.04102
2820.0000 -146.55677 -139.49547 7.06129 2.71703 -140.33800 974.67024
2825.0000 -147.57594 -138.83928 8.73666 2.74885 -139.83957 996.48435
2830.0000 -147.97448 -141.04883 6.92564 2.72263 -140.25032 989.79140
2835.0000 -148.33709 -139.97218 8.36490 2.70254 -140.56490 984.20200
2840.0000 -145.87876 -138.97079 6.90798 2.76425 -139.59831 1000.24032
2845.0000 -146.99255 -139.55103 7.44152 2.73729 -140.02055 976.27518
2850.0000 -147.82577 -139.98400 7.84177 2.74081 -139.96540 966.47917
2855.0000 -149.02747 -141.18390 7.84357 2.71803 -140.32235 972.28159
2860.0000 -150.64310 -143.30990 7.33319 2.60141 -142.14922 890.64915
2865.0000 -149.35920 -142.39361 6.96559 2.62040 -141.85165 919.27870
2870.0000 -147.74298 -137.82917 9.91381 2.77521 -139.42653 991.07633
2875.0000 -146.93513 -138.85642 8.07871 2.81394 -138.81983 1035.28805
2880.0000 -145.61020 -138.71078 6.89942 2.79452 -139.12405 1035.41709
2885.0000 -149.31609 -142.72271 6.59339 2.69066 -140.75104 965.59456
2890.0000 -148.77794 -142.42829 6.34965 2.65381 -141.32830 906.69097
2895.0000 -149.29525 -142.29086 7.00438 2.59633 -142.22870 875.01287
2900.0000 -148.54351 -140.57095 7.97256 2.66313 -141.18231 908.09150
2905.0000 -148.58947 -141.83188 6.75758 2.69945 -140.61332 916.84017
2910.0000 -149.09170 -141.09519 7.99651 2.67600 -140.98079 929.11935
2915.0000 -148.11470 -138.79454 9.32016 2.77202 -139.47654 1024.24512
2920.0000 -148.65671 -141.36574 7.29097 2.76960 -139.51441 1018.96502
2925.0000 -147.93211 -139.86877 8.06334 2.70481 -140.52936 979.88294
2930.0000 -147.72276 -140.52416 7.19859 2.77628 -139.40984 1030.59262
2935.0000 -148.65800 -140.74168 7.91632 2.67871 -140.93821 919.78764
2940.0000 -148.53110 -141.05449 7.47661 2.64787 -141.42129 912.52625
2945.0000 -148.33499 -139.07907 9.25593 2.71657 -140.34514 985.47583
2950.0000 -146.30376 -137.96978 8.33398 2.83707 -138.45750 1071.18973
2955.0000 -147.14804 -137.71244 9.43560 2.85846 -138.12249 1068.40253
2960.0000 -147.23247 -138.17697 9.05550 2.85481 -138.17963 1056.92038
2965.0000 -148.75092 -141.91166 6.83926 2.67078 -141.06253 918.52460
2970.0000 -146.29395 -138.47277 7.82118 2.68293 -140.87221 915.56388
2975.0000 -148.79068 -139.93975 8.85093 2.83029 -138.56375 1031.48353
2980.0000 -148.88978 -140.84945 8.04034 2.68744 -140.80149 972.83424
2985.0000 -148.67117 -140.55056 8.12061 2.70982 -140.45099 943.68135
2990.0000 -146.36562 -137.65783 8.70779 2.79762 -139.07558 1009.54042
2995.0000 -146.24436 -136.69312 9.55124 2.90764 -137.35211 1084.17604
3000.0000 -145.39497 -138.44140 6.95357 2.90453 -137.40075 1070.47459
FREEZING PROCESS: loop number 13 T-loop= 975.00000000000000
main_MD> interactions number 13 at Temperature= 975.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84970 0.01377 -0.90266
force_rgl> df(natom) 1.48471 -2.37029 -0.74616
3005.0000 -145.67741 -137.97599 7.70142 2.87625 -137.84387 1040.73176
3010.0000 -147.48239 -139.61994 7.86245 2.85585 -138.16341 1044.23309
3015.0000 -148.32502 -139.83837 8.48665 2.78502 -139.27285 1015.34894
3020.0000 -148.63800 -139.32554 9.31246 2.78191 -139.32157 1034.00799
3025.0000 -148.75807 -141.46746 7.29062 2.74753 -139.86026 1007.22402
3030.0000 -148.51205 -139.97291 8.53915 2.67253 -141.03505 937.25221
3035.0000 -147.55521 -139.85441 7.70080 2.69448 -140.69120 957.51843
3040.0000 -147.93298 -141.22379 6.70919 2.74080 -139.96562 987.01848
3045.0000 -147.59698 -140.22155 7.37543 2.67481 -140.99930 920.47972
3050.0000 -148.48747 -139.20393 9.28355 2.72861 -140.15660 997.37952
3055.0000 -147.76347 -140.39585 7.36762 2.70104 -140.58854 930.49401
3060.0000 -148.03572 -140.52522 7.51049 2.74910 -139.83567 960.18677
3065.0000 -148.24742 -140.23167 8.01575 2.71287 -140.40318 953.48461
3070.0000 -148.26390 -139.97822 8.28568 2.75430 -139.75413 980.29882
3075.0000 -147.71231 -139.68710 8.02521 2.73138 -140.11324 975.74332
3080.0000 -147.82060 -140.37694 7.44366 2.71794 -140.32366 955.54083
3085.0000 -148.90147 -139.55766 9.34382 2.72137 -140.26994 992.14283
3090.0000 -146.40885 -138.03527 8.37357 2.81206 -138.84930 1018.21486
3095.0000 -149.08639 -141.26080 7.82559 2.71747 -140.33106 954.21043
3100.0000 -147.55079 -139.67413 7.87667 2.72221 -140.25682 956.91636
3105.0000 -148.16567 -141.50584 6.65983 2.72692 -140.18300 934.71269
3110.0000 -147.75024 -139.99538 7.75487 2.73445 -140.06505 1011.55936
3115.0000 -148.72847 -139.98237 8.74610 2.70514 -140.52418 1014.70131
3120.0000 -146.92634 -139.69451 7.23183 2.77286 -139.46339 1046.10803
3125.0000 -147.84418 -139.13199 8.71219 2.72979 -140.13806 973.51560
3130.0000 -146.75842 -139.24144 7.51697 2.81731 -138.76718 1038.75016
3135.0000 -148.78309 -140.58094 8.20215 2.73181 -140.10652 997.59706
3140.0000 -146.11427 -138.43918 7.67508 2.79018 -139.19203 1008.35029
3145.0000 -147.38271 -139.53221 7.85049 2.78928 -139.20616 1026.74942
3150.0000 -147.10455 -138.77068 8.33387 2.76538 -139.58058 1014.18025
3155.0000 -145.54571 -139.03916 6.50656 2.76645 -139.56381 975.36880
3160.0000 -148.26192 -140.07761 8.18431 2.74262 -139.93718 993.58262
3165.0000 -148.68348 -140.11512 8.56836 2.75847 -139.68876 1016.82125
3170.0000 -148.51748 -140.63875 7.87873 2.74373 -139.91973 1012.53822
3175.0000 -147.92391 -140.51060 7.41331 2.71976 -140.29519 973.84357
3180.0000 -147.82262 -139.81430 8.00831 2.74683 -139.87121 989.43165
3185.0000 -149.54202 -142.00475 7.53727 2.64066 -141.53429 932.35677
3190.0000 -146.90028 -139.75272 7.14756 2.70728 -140.49066 964.94127
3195.0000 -147.16453 -139.32725 7.83728 2.79232 -139.15855 1027.44530
3200.0000 -146.86075 -139.62916 7.23159 2.82599 -138.63120 1046.91443
3205.0000 -147.22761 -138.54560 8.68201 2.78662 -139.24782 986.61767
3210.0000 -147.39864 -137.71802 9.68063 2.84945 -138.26359 1077.44273
3215.0000 -145.36036 -137.95232 7.40805 2.90958 -137.32171 1085.54171
3220.0000 -146.68251 -137.39903 9.28348 2.89157 -137.60387 1075.32179
3225.0000 -147.16271 -138.90949 8.25322 2.86033 -138.09327 1036.21310
3230.0000 -148.92357 -140.78354 8.14002 2.72660 -140.18807 974.25113
3235.0000 -145.97866 -137.72819 8.25047 2.76285 -139.62020 987.35123
3240.0000 -145.99055 -138.55097 7.43958 2.90418 -137.40635 1092.98894
3245.0000 -148.31721 -139.93753 8.37968 2.81528 -138.79883 1064.56872
3250.0000 -149.87576 -140.81569 9.06007 2.73622 -140.03742 952.99388
FREEZING PROCESS: loop number 14 T-loop= 950.00000000000000
main_MD> interactions number 14 at Temperature= 950.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.99650 -3.22690 2.20932
force_rgl> df(natom) 1.73357 -2.36126 0.51532
3255.0000 -148.95420 -141.17896 7.77524 2.67413 -141.01004 956.00840
3260.0000 -150.27817 -142.50656 7.77161 2.63495 -141.62375 923.12594
3265.0000 -150.23813 -143.38585 6.85228 2.55834 -142.82383 879.20351
3270.0000 -150.40497 -143.75625 6.64871 2.48263 -144.00989 815.05352
3275.0000 -149.01414 -141.26567 7.74847 2.65255 -141.34813 913.73512
3280.0000 -148.47223 -141.33088 7.14135 2.65707 -141.27731 943.75163
3285.0000 -148.90709 -140.48907 8.41801 2.69045 -140.75439 971.91673
3290.0000 -149.24443 -142.60968 6.63474 2.64319 -141.49467 915.22468
3295.0000 -149.66828 -142.06033 7.60794 2.54092 -143.09666 832.74355
3300.0000 -148.81042 -142.28158 6.52883 2.61195 -141.98405 876.48181
3305.0000 -149.33803 -141.37671 7.96132 2.62558 -141.77054 882.67750
3310.0000 -150.02557 -143.68601 6.33956 2.58768 -142.36423 857.85206
3315.0000 -148.88188 -142.49478 6.38710 2.56739 -142.68202 849.67064
3320.0000 -149.33652 -141.77632 7.56019 2.61252 -141.97509 911.88475
3325.0000 -148.01672 -139.98932 8.02740 2.69611 -140.66564 965.05030
3330.0000 -146.26043 -138.95221 7.30822 2.75510 -139.74167 1003.31889
3335.0000 -149.40165 -141.32188 8.07977 2.80294 -138.99221 1069.64318
3340.0000 -148.42126 -141.12463 7.29663 2.68902 -140.77677 967.69993
3345.0000 -150.03989 -143.82425 6.21564 2.60152 -142.14736 907.59421
3350.0000 -151.16318 -143.31571 7.84748 2.47288 -144.16263 798.72650
3355.0000 -149.15044 -141.63705 7.51339 2.55701 -142.84469 859.09164
3360.0000 -148.55226 -140.56444 7.98781 2.73301 -140.08769 981.06742
3365.0000 -147.81096 -138.75229 9.05868 2.79140 -139.17301 1029.87374
3370.0000 -146.97345 -138.47699 8.49646 2.85398 -138.19273 1057.60509
3375.0000 -146.31235 -139.45760 6.85475 2.78576 -139.26137 1021.60556
3380.0000 -147.94378 -140.56164 7.38214 2.70111 -140.58732 941.53997
3385.0000 -147.83875 -139.27028 8.56847 2.75135 -139.80032 984.94865
3390.0000 -148.93926 -141.34611 7.59315 2.68190 -140.88824 972.46124
3395.0000 -148.19139 -140.82397 7.36742 2.59536 -142.24387 888.73675
3400.0000 -146.79652 -139.44462 7.35191 2.71055 -140.43943 920.95229
3405.0000 -148.61457 -140.81457 7.80000 2.76086 -139.65142 1001.07779
3410.0000 -148.42304 -140.12521 8.29783 2.71566 -140.35947 959.83374
3415.0000 -149.26547 -141.19127 8.07421 2.65401 -141.32520 931.82469
3420.0000 -146.61339 -140.27400 6.33939 2.70644 -140.50381 946.02079
3425.0000 -147.85572 -138.95240 8.90332 2.81004 -138.88097 1029.61044
3430.0000 -149.15356 -141.95337 7.20019 2.70080 -140.59219 953.92015
3435.0000 -149.15747 -140.18763 8.96984 2.67387 -141.01400 953.74556
3440.0000 -147.31932 -138.98148 8.33784 2.71171 -140.42135 935.56667
3445.0000 -148.01652 -140.42418 7.59234 2.76289 -139.61955 954.02488
3450.0000 -147.78824 -140.24269 7.54555 2.71515 -140.36741 961.45989
3455.0000 -148.12990 -140.86316 7.26673 2.71307 -140.40001 995.24644
3460.0000 -148.79623 -141.32809 7.46815 2.67595 -140.98143 947.89236
3465.0000 -148.41404 -140.43586 7.97818 2.68371 -140.85999 956.62169
3470.0000 -149.38614 -141.68108 7.70506 2.64640 -141.44435 926.93154
3475.0000 -147.93278 -140.89897 7.03380 2.60656 -142.06842 857.85847
3480.0000 -147.32608 -138.81854 8.50754 2.73701 -140.02502 968.15790
3485.0000 -149.81538 -141.66395 8.15143 2.69918 -140.61760 980.92154
3490.0000 -147.80061 -138.96430 8.83631 2.69020 -140.75830 937.06329
3495.0000 -148.18038 -140.02674 8.15364 2.76767 -139.54470 989.80192
3500.0000 -147.86056 -140.57994 7.28063 2.76565 -139.57633 975.53816
FREEZING PROCESS: loop number 15 T-loop= 925.00000000000000
main_MD> interactions number 15 at Temperature= 925.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.41957 0.22421 0.12632
force_rgl> df(natom) -0.96878 1.35265 0.16034
3505.0000 -150.27488 -141.54502 8.72986 2.64774 -141.42346 936.15359
3510.0000 -149.72959 -142.10029 7.62930 2.59381 -142.26815 874.42311
3515.0000 -148.53471 -142.15859 6.37612 2.51673 -143.47559 854.43730
3520.0000 -149.36199 -143.42686 5.93513 2.55049 -142.94675 858.62950
3525.0000 -148.10945 -140.85821 7.25124 2.62977 -141.70483 927.54951
3530.0000 -147.20208 -138.98536 8.21672 2.74317 -139.92846 1033.10179
3535.0000 -149.00970 -140.65820 8.35149 2.77859 -139.37365 991.67859
3540.0000 -150.70211 -143.94552 6.75659 2.55575 -142.86440 871.03858
3545.0000 -150.09622 -143.91241 6.18381 2.44376 -144.61880 781.88315
3550.0000 -149.00488 -142.02229 6.98260 2.58431 -142.41705 887.54775
3555.0000 -148.30271 -140.96628 7.33643 2.64726 -141.43091 911.46582
3560.0000 -149.25620 -142.41301 6.84319 2.57788 -142.51769 851.52414
3565.0000 -148.77393 -142.11452 6.65942 2.58174 -142.45724 848.52123
3570.0000 -147.38740 -139.60934 7.77805 2.65640 -141.28767 941.37340
3575.0000 -147.99094 -140.16254 7.82840 2.73117 -140.11643 1013.67953
3580.0000 -149.01431 -140.85938 8.15493 2.72845 -140.15911 988.52329
3585.0000 -148.92501 -141.10135 7.82366 2.66919 -141.08735 923.48759
3590.0000 -148.29852 -141.06916 7.22936 2.63468 -141.62794 895.38124
3595.0000 -148.38556 -140.98906 7.39650 2.67206 -141.04251 921.32804
3600.0000 -147.70365 -139.49857 8.20508 2.75291 -139.77600 1016.63377
3605.0000 -149.65564 -142.99640 6.65924 2.63614 -141.60508 932.88834
3610.0000 -149.44478 -141.56679 7.87799 2.58467 -142.41137 880.61316
3615.0000 -149.54202 -143.39477 6.14725 2.57464 -142.56855 889.30623
3620.0000 -150.53700 -142.66871 7.86828 2.55005 -142.95363 850.49661
3625.0000 -149.55063 -143.98330 5.56732 2.50573 -143.64795 805.00679
3630.0000 -150.06485 -142.50104 7.56381 2.48855 -143.91717 791.49292
3635.0000 -148.64431 -141.43884 7.20547 2.61548 -141.92869 922.32720
3640.0000 -148.97471 -142.40724 6.56747 2.62720 -141.74515 893.86576
3645.0000 -149.35168 -141.86251 7.48917 2.61126 -141.99481 873.16269
3650.0000 -149.01199 -141.06551 7.94649 2.67590 -140.98234 959.15152
3655.0000 -148.53266 -140.92720 7.60546 2.65242 -141.35002 948.02093
3660.0000 -148.77105 -141.60996 7.16109 2.64856 -141.41053 941.90597
3665.0000 -147.54764 -140.71094 6.83670 2.65523 -141.30611 931.90684
3670.0000 -147.46804 -140.11185 7.35619 2.77967 -139.35675 990.03402
3675.0000 -149.18481 -140.13905 9.04577 2.75237 -139.78438 971.42945
3680.0000 -148.42036 -141.42999 6.99036 2.68935 -140.77151 927.22031
3685.0000 -148.11145 -141.59545 6.51600 2.65552 -141.30160 928.33038
3690.0000 -148.80387 -141.98915 6.81473 2.64495 -141.46709 908.41496
3695.0000 -148.96931 -140.91948 8.04984 2.62517 -141.77693 937.55829
3700.0000 -148.29377 -141.22471 7.06905 2.69518 -140.68033 972.72531
3705.0000 -148.34022 -141.53903 6.80120 2.67642 -140.97406 933.32987
3710.0000 -147.10197 -139.85733 7.24464 2.65930 -141.24225 931.63656
3715.0000 -148.56258 -138.78703 9.77555 2.76797 -139.53998 1000.57318
3720.0000 -149.07870 -140.71450 8.36420 2.67830 -140.94463 987.42010
3725.0000 -149.41624 -142.54976 6.86648 2.64326 -141.49364 936.98070
3730.0000 -149.97500 -143.38883 6.58617 2.52959 -143.27415 812.00267
3735.0000 -147.73528 -141.60492 6.13036 2.58040 -142.47828 844.30454
3740.0000 -147.32256 -138.79623 8.52633 2.72765 -140.17158 979.78776
3745.0000 -147.52737 -139.98818 7.53920 2.78455 -139.28035 1010.25036
3750.0000 -150.43776 -143.26595 7.17182 2.60200 -142.13992 914.84924
FREEZING PROCESS: loop number 16 T-loop= 900.00000000000000
main_MD> interactions number 16 at Temperature= 900.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.68453 1.12215 -4.48906
force_rgl> df(natom) 0.76165 -3.02044 0.46203
3755.0000 -150.22395 -143.25362 6.97032 2.50766 -143.61782 803.89154
3760.0000 -148.81816 -143.10451 5.71365 2.50907 -143.59568 802.91067
3765.0000 -148.93831 -142.88141 6.05689 2.54074 -143.09948 830.85123
3770.0000 -148.25302 -141.51069 6.74234 2.63203 -141.66944 907.60633
3775.0000 -147.94214 -140.78263 7.15951 2.63528 -141.61855 895.48929
3780.0000 -147.62776 -140.25849 7.36927 2.70790 -140.48098 938.65345
3785.0000 -148.02175 -140.61311 7.40863 2.71399 -140.38554 934.09157
3790.0000 -149.28527 -141.68953 7.59574 2.70843 -140.47268 957.98655
3795.0000 -146.97872 -139.30357 7.67514 2.73506 -140.05560 976.51429
3800.0000 -147.60028 -139.61012 7.99016 2.77686 -139.40082 992.75453
3805.0000 -149.53245 -143.02302 6.50943 2.64563 -141.45652 925.25867
3810.0000 -147.85177 -141.13621 6.71556 2.59888 -142.18872 894.16621
3815.0000 -147.50614 -141.41632 6.08982 2.67352 -141.01962 948.23496
3820.0000 -147.47262 -140.77994 6.69268 2.70379 -140.54540 950.17986
3825.0000 -147.88746 -142.01902 5.86844 2.62110 -141.84065 882.06420
3830.0000 -148.83121 -142.20620 6.62502 2.61936 -141.86796 898.35672
3835.0000 -150.68016 -143.19938 7.48078 2.54257 -143.07081 845.17031
3840.0000 -149.49384 -142.47956 7.01428 2.60043 -142.16445 920.98385
3845.0000 -150.78571 -143.40490 7.38082 2.59648 -142.22632 882.58786
3850.0000 -150.96742 -144.51570 6.45172 2.47062 -144.19803 804.13897
3855.0000 -149.77421 -143.10915 6.66506 2.55511 -142.87441 846.80273
3860.0000 -148.96533 -142.04228 6.92305 2.61161 -141.98932 891.99455
3865.0000 -149.95419 -142.70552 7.24867 2.58659 -142.38124 866.54841
3870.0000 -149.95873 -142.50587 7.45286 2.59828 -142.19811 900.23939
3875.0000 -147.76431 -141.02407 6.74025 2.62085 -141.84460 888.12752
3880.0000 -147.86274 -141.00960 6.85314 2.68791 -140.79420 959.97246
3885.0000 -148.31306 -141.31986 6.99320 2.69915 -140.61814 959.82101
3890.0000 -148.85684 -141.17351 7.68333 2.65100 -141.37235 915.96466
3895.0000 -148.86514 -140.95914 7.90599 2.65342 -141.33449 891.48104
3900.0000 -148.58825 -142.18634 6.40191 2.63071 -141.69020 876.52825
3905.0000 -147.62099 -140.22000 7.40099 2.66667 -141.12689 938.50968
3910.0000 -147.83925 -140.73906 7.10019 2.63910 -141.55879 935.69030
3915.0000 -147.27477 -140.81635 6.45842 2.70588 -140.51266 996.30574
3920.0000 -148.60622 -141.35907 7.24714 2.65755 -141.26980 915.49282
3925.0000 -147.79441 -140.06856 7.72585 2.68630 -140.81937 976.19994
3930.0000 -149.15315 -142.41088 6.74228 2.67721 -140.96174 943.42104
3935.0000 -147.76283 -140.78942 6.97341 2.65164 -141.36234 903.86344
3940.0000 -149.31174 -143.38916 5.92257 2.66507 -141.15193 930.08581
3945.0000 -151.02655 -144.09728 6.92927 2.47431 -144.14013 805.74091
3950.0000 -149.27274 -141.36691 7.90583 2.54240 -143.07349 846.56114
3955.0000 -148.79326 -141.75104 7.04222 2.62097 -141.84278 910.68147
3960.0000 -149.14006 -141.84422 7.29584 2.59822 -142.19920 894.55264
3965.0000 -149.07126 -142.03544 7.03582 2.59662 -142.22427 885.60449
3970.0000 -149.87424 -143.49347 6.38078 2.57152 -142.61741 866.95028
3975.0000 -149.76165 -143.78118 5.98047 2.54123 -143.09182 829.28919
3980.0000 -149.12922 -142.75319 6.37603 2.59575 -142.23783 894.75125
3985.0000 -147.89575 -140.33999 7.55576 2.66426 -141.16463 952.90417
3990.0000 -150.14863 -142.98381 7.16481 2.67746 -140.95777 924.79320
3995.0000 -149.74430 -142.04831 7.69599 2.61199 -141.98336 916.14609
4000.0000 -147.94687 -140.91950 7.02736 2.65168 -141.36170 916.42585
FREEZING PROCESS: loop number 17 T-loop= 875.00000000000000
main_MD> interactions number 17 at Temperature= 875.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.67573 -0.81759 -0.91548
force_rgl> df(natom) 1.97232 -0.97936 -0.82080
4005.0000 -147.85515 -141.44394 6.41121 2.72552 -140.20501 958.08734
4010.0000 -147.88270 -140.44718 7.43551 2.71131 -140.42762 937.04930
4015.0000 -149.06768 -141.95678 7.11090 2.62097 -141.84282 886.89721
4020.0000 -150.77525 -144.72454 6.05071 2.53437 -143.19939 854.32734
4025.0000 -149.39288 -143.30919 6.08369 2.48398 -143.98865 797.04396
4030.0000 -149.34320 -142.84716 6.49604 2.56340 -142.74462 850.56823
4035.0000 -148.77698 -142.18215 6.59483 2.57451 -142.57049 849.99832
4040.0000 -147.65237 -141.67059 5.98178 2.57792 -142.51719 872.88713
4045.0000 -148.92722 -140.86915 8.05806 2.61618 -141.91780 843.83603
4050.0000 -149.45824 -141.39365 8.06460 2.65847 -141.25527 959.68187
4055.0000 -150.09594 -141.45660 8.63934 2.65247 -141.34933 900.28896
4060.0000 -150.33891 -143.79396 6.54495 2.56636 -142.69826 900.62532
4065.0000 -150.44213 -142.22235 8.21979 2.54417 -143.04586 860.24184
4070.0000 -148.56348 -141.10632 7.45716 2.57216 -142.60737 873.40035
4075.0000 -149.68542 -142.53936 7.14606 2.60900 -142.03033 892.03737
4080.0000 -148.24621 -141.25376 6.99246 2.59574 -142.23803 878.27603
4085.0000 -148.82229 -141.42934 7.39295 2.65098 -141.37260 917.81379
4090.0000 -148.70977 -141.97906 6.73071 2.66396 -141.16937 943.58113
4095.0000 -150.38917 -143.09676 7.29241 2.62013 -141.85597 904.50354
4100.0000 -150.12016 -143.14437 6.97579 2.51096 -143.56606 820.57062
4105.0000 -149.25299 -141.43144 7.82155 2.57567 -142.55230 862.20773
4110.0000 -149.12986 -143.56978 5.56008 2.55674 -142.84888 838.46532
4115.0000 -150.91211 -144.24404 6.66807 2.48925 -143.90609 811.12732
4120.0000 -149.90763 -143.06780 6.83983 2.50177 -143.71008 818.63259
4125.0000 -150.32190 -144.20540 6.11650 2.48727 -143.93708 800.66878
4130.0000 -151.41256 -143.64267 7.76989 2.52030 -143.41969 852.62163
4135.0000 -148.94849 -143.89726 5.05123 2.49235 -143.85760 808.42733
4140.0000 -149.88477 -143.22099 6.66378 2.51924 -143.43628 827.82008
4145.0000 -149.47071 -143.34788 6.12282 2.53443 -143.19847 849.31136
4150.0000 -150.75246 -143.50110 7.25136 2.53161 -143.24257 832.67019
4155.0000 -149.23991 -143.12255 6.11736 2.54069 -143.10029 872.39691
4160.0000 -148.86144 -142.60362 6.25782 2.53098 -143.25243 812.77738
4165.0000 -148.19918 -140.19078 8.00840 2.65969 -141.23628 935.95194
4170.0000 -149.69782 -141.88922 7.80860 2.68917 -140.77445 924.78240
4175.0000 -148.28720 -140.89371 7.39349 2.61403 -141.95141 880.61018
4180.0000 -148.49845 -140.43635 8.06211 2.77527 -139.42562 1010.43258
4185.0000 -150.13679 -142.66287 7.47392 2.64432 -141.47695 913.55022
4190.0000 -150.22261 -143.82049 6.40213 2.51818 -143.45297 817.25615
4195.0000 -150.39903 -143.24850 7.15053 2.52592 -143.33164 828.42937
4200.0000 -150.34344 -143.50288 6.84056 2.47891 -144.06816 810.20947
4205.0000 -149.49016 -141.34718 8.14297 2.61270 -141.97223 919.66080
4210.0000 -149.94080 -143.33875 6.60205 2.61030 -142.00982 890.46668
4215.0000 -148.89371 -142.43890 6.45481 2.59331 -142.27610 885.28552
4220.0000 -150.18255 -143.42790 6.75465 2.51505 -143.50195 820.41156
4225.0000 -149.88048 -142.79890 7.08158 2.55806 -142.82821 864.11413
4230.0000 -149.92774 -143.05238 6.87536 2.56644 -142.69691 901.74087
4235.0000 -148.92719 -140.89203 8.03516 2.62053 -141.84969 917.69424
4240.0000 -149.47103 -142.43761 7.03341 2.63373 -141.64286 917.19752
4245.0000 -149.97794 -141.97491 8.00303 2.60092 -142.15685 894.63438
4250.0000 -148.63764 -141.23367 7.40397 2.64029 -141.54018 926.15757
FREEZING PROCESS: loop number 18 T-loop= 850.00000000000000
main_MD> interactions number 18 at Temperature= 850.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.72486 -1.17948 -1.03789
force_rgl> df(natom) 0.69528 0.78749 1.73891
4255.0000 -148.69536 -141.50518 7.19018 2.65182 -141.35942 902.32406
4260.0000 -148.50957 -140.94813 7.56144 2.60389 -142.11038 869.60472
4265.0000 -150.42917 -143.10200 7.32717 2.55291 -142.90892 833.34440
4270.0000 -148.75137 -141.78478 6.96658 2.55750 -142.83708 846.77719
4275.0000 -147.46501 -140.88916 6.57585 2.61848 -141.88172 861.38501
4280.0000 -149.90419 -142.81244 7.09174 2.61363 -141.95773 875.25057
4285.0000 -150.61136 -143.17951 7.43185 2.54542 -143.02628 846.09656
4290.0000 -149.04364 -142.35740 6.68624 2.60919 -142.02725 912.25662
4295.0000 -150.23039 -143.30193 6.92846 2.55300 -142.90753 840.94222
4300.0000 -149.63850 -143.41975 6.21875 2.52259 -143.38385 850.68736
4305.0000 -151.00606 -144.23491 6.77115 2.51856 -143.44694 837.79601
4310.0000 -150.66250 -143.46189 7.20060 2.47908 -144.06537 810.17391
4315.0000 -148.12432 -141.14139 6.98294 2.59625 -142.22995 891.33182
4320.0000 -149.83390 -142.23816 7.59574 2.64871 -141.40823 911.17438
4325.0000 -149.08075 -142.27523 6.80552 2.60826 -142.04180 902.46125
4330.0000 -148.10245 -140.85050 7.25195 2.64627 -141.44648 920.54911
4335.0000 -149.71657 -142.65569 7.06088 2.60981 -142.01761 877.68575
4340.0000 -148.88896 -142.43610 6.45286 2.55327 -142.90332 834.41167
4345.0000 -151.12429 -143.66336 7.46093 2.54884 -142.97264 865.88428
4350.0000 -150.04674 -142.16378 7.88296 2.53516 -143.18698 844.17333
4355.0000 -148.69863 -141.73270 6.96593 2.60612 -142.07535 897.71114
4360.0000 -148.95691 -141.93463 7.02228 2.60233 -142.13478 896.60069
4365.0000 -149.01410 -140.87233 8.14177 2.61718 -141.90219 913.85899
4370.0000 -150.28654 -143.62659 6.65995 2.58218 -142.45041 884.10305
4375.0000 -150.08371 -143.76755 6.31616 2.52373 -143.36599 824.29016
4380.0000 -149.64052 -143.53162 6.10889 2.47553 -144.12100 790.25718
4385.0000 -150.05000 -143.22726 6.82274 2.57252 -142.60167 878.11491
4390.0000 -149.47784 -142.67913 6.79871 2.57742 -142.52489 870.97073
4395.0000 -149.47729 -141.68195 7.79534 2.58395 -142.42274 883.47775
4400.0000 -151.64500 -146.22387 5.42113 2.47827 -144.07816 790.57417
4405.0000 -150.33981 -145.16081 5.17900 2.42340 -144.93762 759.42604
4410.0000 -150.76592 -145.38771 5.37821 2.40344 -145.25040 761.38559
4415.0000 -149.57238 -143.90378 5.66860 2.46999 -144.20780 794.08314
4420.0000 -152.03516 -145.83164 6.20352 2.39221 -145.42627 734.27177
4425.0000 -150.11904 -143.68801 6.43104 2.42559 -144.90342 784.85706
4430.0000 -149.65068 -141.00714 8.64354 2.56542 -142.71292 842.03591
4435.0000 -149.85115 -142.96736 6.88379 2.66404 -141.16806 916.65967
4440.0000 -149.50133 -142.70323 6.79810 2.58115 -142.46649 870.53086
4445.0000 -148.33944 -141.18509 7.15434 2.58786 -142.36144 822.90926
4450.0000 -149.43981 -140.55270 8.88711 2.69856 -140.62727 940.07808
4455.0000 -149.99118 -143.78623 6.20495 2.56633 -142.69862 860.05618
4460.0000 -149.82933 -143.55042 6.27890 2.52120 -143.40564 861.17151
4465.0000 -149.84397 -142.55519 7.28877 2.48215 -144.01734 827.72087
4470.0000 -150.09289 -142.59051 7.50237 2.57976 -142.48829 885.47324
4475.0000 -150.47168 -144.65977 5.81191 2.47454 -144.13661 817.92252
4480.0000 -150.60164 -144.93095 5.67069 2.47521 -144.12603 799.52378
4485.0000 -150.44620 -144.52450 5.92170 2.44081 -144.66498 752.23366
4490.0000 -149.48191 -144.06008 5.42183 2.50250 -143.69856 823.20095
4495.0000 -151.25723 -143.90660 7.35063 2.48897 -143.91046 789.90480
4500.0000 -150.11865 -144.22043 5.89822 2.43707 -144.72355 780.70762
FREEZING PROCESS: loop number 19 T-loop= 825.00000000000000
main_MD> interactions number 19 at Temperature= 825.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.76446 3.73827 2.60175
force_rgl> df(natom) 0.49711 -0.57668 -3.98631
4505.0000 -150.62705 -145.15273 5.47432 2.46729 -144.25009 773.59342
4510.0000 -149.79087 -144.11065 5.68022 2.48237 -144.01391 809.42341
4515.0000 -148.97894 -143.48104 5.49790 2.48313 -144.00206 801.55465
4520.0000 -151.14200 -144.22757 6.91443 2.50712 -143.62628 841.07558
4525.0000 -149.04500 -142.34935 6.69566 2.56521 -142.71625 862.87642
4530.0000 -149.15237 -141.98882 7.16355 2.57993 -142.48571 892.57215
4535.0000 -149.73345 -142.78660 6.94686 2.54830 -142.98116 855.36355
4540.0000 -151.45494 -145.17308 6.28185 2.51258 -143.54060 791.31058
4545.0000 -149.60234 -143.94389 5.65845 2.40881 -145.16624 744.02730
4550.0000 -150.69291 -144.48044 6.21248 2.42908 -144.84865 769.70109
4555.0000 -149.04240 -143.03240 6.00999 2.48874 -143.91408 814.54992
4560.0000 -150.61922 -144.58988 6.02934 2.48969 -143.89929 789.04613
4565.0000 -151.23087 -145.08107 6.14981 2.47127 -144.18771 812.71899
4570.0000 -149.80975 -143.71924 6.09051 2.49505 -143.81535 800.48110
4575.0000 -151.34564 -144.36637 6.97928 2.48637 -143.95129 825.20156
4580.0000 -149.32676 -143.51096 5.81580 2.45311 -144.47231 788.33495
4585.0000 -150.41105 -142.69119 7.71986 2.55069 -142.94370 853.87211
4590.0000 -149.39682 -143.48717 5.90965 2.53816 -143.13995 846.75553
4595.0000 -150.34475 -144.65068 5.69406 2.48075 -144.03925 806.45055
4600.0000 -150.66791 -143.97309 6.69482 2.45016 -144.51855 771.50008
4605.0000 -149.44865 -143.33521 6.11344 2.49054 -143.88590 849.96780
4610.0000 -149.98482 -143.28466 6.70016 2.49575 -143.80430 812.82729
4615.0000 -148.83302 -142.38911 6.44391 2.54070 -143.10015 835.43543
4620.0000 -148.19805 -141.28621 6.91184 2.57445 -142.57151 863.73397
4625.0000 -149.95773 -143.06895 6.88877 2.62744 -141.74132 893.07948
4630.0000 -150.78351 -143.69258 7.09093 2.55946 -142.80632 856.72647
4635.0000 -148.86334 -142.56970 6.29364 2.55811 -142.82748 840.80280
4640.0000 -150.39189 -143.61475 6.77713 2.59900 -142.18694 893.41673
4645.0000 -149.24553 -142.27603 6.96950 2.54004 -143.11054 856.62243
4650.0000 -149.89972 -141.91506 7.98466 2.62605 -141.76323 928.28474
4655.0000 -150.27839 -143.00969 7.26870 2.57072 -142.62997 865.93925
4660.0000 -151.18228 -144.45994 6.72235 2.53600 -143.17385 810.00602
4665.0000 -150.31010 -143.82271 6.48739 2.45897 -144.38042 793.62446
4670.0000 -150.66866 -143.01432 7.65434 2.49156 -143.86992 813.88105
4675.0000 -149.67274 -144.09127 5.58147 2.48881 -143.91297 819.30315
4680.0000 -150.89794 -144.16018 6.73776 2.45524 -144.43884 775.40111
4685.0000 -152.16645 -145.37109 6.79536 2.47037 -144.20190 803.60041
4690.0000 -149.14391 -143.51996 5.62395 2.44935 -144.53110 807.79646
4695.0000 -150.95790 -145.08974 5.86815 2.49441 -143.82538 837.43253
4700.0000 -149.38910 -143.10750 6.28161 2.51253 -143.54140 838.44881
4705.0000 -149.77147 -142.35785 7.41362 2.56639 -142.69767 831.43537
4710.0000 -149.05502 -140.77964 8.27538 2.66785 -141.10844 919.40012
4715.0000 -149.90368 -141.15778 8.74589 2.68480 -140.84292 959.20465
4720.0000 -147.00081 -141.32898 5.67183 2.64609 -141.44920 947.41668
4725.0000 -149.01003 -140.52849 8.48153 2.65904 -141.24644 932.73736
4730.0000 -150.48581 -144.01703 6.46878 2.57693 -142.53261 864.93982
4735.0000 -149.83050 -144.32572 5.50478 2.45514 -144.44045 797.08020
4740.0000 -151.39318 -143.97538 7.41780 2.49332 -143.84242 825.23501
4745.0000 -148.87077 -143.01636 5.85442 2.45715 -144.40896 800.61014
4750.0000 -151.15574 -144.43880 6.71694 2.50830 -143.60767 812.61859
FREEZING PROCESS: loop number 20 T-loop= 800.00000000000000
main_MD> interactions number 20 at Temperature= 800.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.10699 1.99476 -1.36965
force_rgl> df(natom) -1.83184 3.25033 0.33668
4755.0000 -152.24663 -145.52839 6.71824 2.39815 -145.33323 746.58798
4760.0000 -150.17138 -143.86484 6.30653 2.45912 -144.37815 786.14302
4765.0000 -151.38279 -143.06524 8.31755 2.47626 -144.10958 807.39242
4770.0000 -151.47942 -146.10447 5.37496 2.42267 -144.94918 770.49845
4775.0000 -152.05513 -145.27191 6.78322 2.41659 -145.04433 794.72570
4780.0000 -151.09247 -145.06365 6.02882 2.43153 -144.81029 794.29846
4785.0000 -151.87122 -145.88320 5.98802 2.40407 -145.24053 788.76249
4790.0000 -151.11786 -145.81500 5.30287 2.33161 -146.37552 699.60468
4795.0000 -150.55885 -144.08789 6.47096 2.43405 -144.77085 775.44005
4800.0000 -149.67177 -143.77306 5.89871 2.48802 -143.92543 815.22672
4805.0000 -151.11111 -144.30298 6.80813 2.50353 -143.68248 816.75903
4810.0000 -151.77769 -145.58302 6.19467 2.43494 -144.75685 775.49512
4815.0000 -152.01735 -145.37629 6.64106 2.36386 -145.87041 737.83547
4820.0000 -151.79022 -145.72703 6.06319 2.36143 -145.90835 758.76293
4825.0000 -150.78141 -144.89241 5.88900 2.41236 -145.11067 768.04422
4830.0000 -150.30425 -144.74307 5.56117 2.44680 -144.57116 754.60847
4835.0000 -150.62742 -143.58065 7.04677 2.47821 -144.07900 767.58222
4840.0000 -149.55643 -143.12565 6.43078 2.49459 -143.82243 811.52929
4845.0000 -150.08303 -142.43517 7.64786 2.55442 -142.88518 836.38107
4850.0000 -150.07298 -142.77506 7.29791 2.56707 -142.68713 866.89862
4855.0000 -149.34234 -142.26124 7.08110 2.56175 -142.77049 889.96451
4860.0000 -150.51460 -143.13412 7.38048 2.52433 -143.35668 846.66482
4865.0000 -149.48511 -143.58431 5.90080 2.51105 -143.56464 838.61574
4870.0000 -151.35391 -143.65886 7.69505 2.54001 -143.11097 859.57253
4875.0000 -150.66523 -143.83477 6.83046 2.45250 -144.48189 790.12434
4880.0000 -150.68730 -143.16554 7.52176 2.51734 -143.46604 826.68439
4885.0000 -148.71671 -142.12804 6.58866 2.54044 -143.10419 833.76555
4890.0000 -150.43105 -142.51139 7.91966 2.60811 -142.04413 893.63485
4895.0000 -149.52692 -142.93739 6.58953 2.58574 -142.39466 871.25021
4900.0000 -151.53435 -144.64043 6.89392 2.51124 -143.56168 835.52078
4905.0000 -150.11286 -141.68959 8.42327 2.53474 -143.19354 847.20333
4910.0000 -149.83509 -142.55835 7.27673 2.57555 -142.55432 861.61403
4915.0000 -150.95349 -143.99654 6.95695 2.51641 -143.48072 857.49598
4920.0000 -148.86829 -144.40671 4.46158 2.44333 -144.62552 772.42318
4925.0000 -149.47081 -143.01164 6.45916 2.50779 -143.61570 807.72843
4930.0000 -149.80695 -142.99215 6.81479 2.57694 -142.53251 865.54684
4935.0000 -148.93076 -143.34702 5.58374 2.50340 -143.68454 787.44902
4940.0000 -151.07375 -143.84086 7.23290 2.53302 -143.22046 843.18852
4945.0000 -151.07141 -144.91413 6.15727 2.43673 -144.72880 804.29682
4950.0000 -151.33428 -144.96879 6.36549 2.46977 -144.21124 810.09085
4955.0000 -149.44754 -143.83388 5.61366 2.40084 -145.29099 778.31846
4960.0000 -150.41907 -143.51224 6.90683 2.50309 -143.68936 840.89422
4965.0000 -151.66373 -146.07324 5.59048 2.47283 -144.16340 795.96297
4970.0000 -151.57077 -145.53310 6.03767 2.40378 -145.24497 717.30864
4975.0000 -149.58136 -143.80713 5.77424 2.41752 -145.02984 744.86143
4980.0000 -148.74485 -141.78535 6.95949 2.62653 -141.75562 914.14530
4985.0000 -149.77689 -142.90972 6.86717 2.58879 -142.34690 851.85549
4990.0000 -148.96688 -142.48853 6.47836 2.54907 -142.96903 830.68858
4995.0000 -150.29450 -144.21530 6.07920 2.49834 -143.76379 798.16530
5000.0000 -150.98000 -145.26807 5.71193 2.43654 -144.73177 746.58211
FREEZING PROCESS: loop number 21 T-loop= 775.00000000000000
main_MD> interactions number 21 at Temperature= 775.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46021 -0.31104 0.77931
force_rgl> df(natom) 7.00384 -0.00660 6.70599
5005.0000 -151.44433 -145.62434 5.81999 2.41261 -145.10665 752.48747
5010.0000 -149.48508 -144.13361 5.35148 2.46251 -144.32503 795.13738
5015.0000 -149.54561 -142.70730 6.83831 2.52519 -143.34308 832.39286
5020.0000 -151.25914 -145.05908 6.20005 2.46793 -144.24006 790.14726
5025.0000 -150.98603 -144.92097 6.06506 2.43391 -144.77300 771.43039
5030.0000 -150.59269 -144.24940 6.34328 2.42665 -144.88676 775.60491
5035.0000 -151.91498 -145.22476 6.69023 2.44694 -144.56891 798.71972
5040.0000 -151.09335 -145.12506 5.96828 2.39876 -145.32361 749.34012
5045.0000 -150.78411 -144.43457 6.34953 2.48205 -144.01890 801.17017
5050.0000 -149.92161 -143.93091 5.99070 2.50322 -143.68727 843.03962
5055.0000 -150.53066 -144.43573 6.09493 2.49152 -143.87055 818.04041
5060.0000 -152.36580 -146.08388 6.28192 2.38580 -145.52672 735.55005
5065.0000 -151.12980 -145.51969 5.61011 2.37112 -145.75664 739.72945
5070.0000 -150.00012 -144.48352 5.51660 2.43385 -144.77399 743.18842
5075.0000 -150.12597 -144.90453 5.22144 2.46116 -144.34620 764.32167
5080.0000 -149.86670 -144.03178 5.83492 2.47971 -144.05553 777.84920
5085.0000 -150.91024 -143.85319 7.05705 2.48710 -143.93975 785.07541
5090.0000 -151.43136 -144.94436 6.48700 2.45479 -144.44588 763.23256
5095.0000 -150.47933 -143.46352 7.01582 2.47813 -144.08035 812.55118
5100.0000 -151.23035 -145.29884 5.93151 2.44272 -144.63497 795.17247
5105.0000 -151.91814 -146.07724 5.84089 2.37492 -145.69705 741.49265
5110.0000 -152.00527 -145.13669 6.86859 2.39311 -145.41222 747.46234
5115.0000 -148.63810 -142.01913 6.61897 2.50842 -143.60581 833.14159
5120.0000 -150.49509 -144.97231 5.52277 2.54158 -143.08635 857.45063
5125.0000 -151.79172 -145.55403 6.23769 2.42662 -144.88728 779.05948
5130.0000 -151.26774 -145.03607 6.23167 2.39701 -145.35106 728.28175
5135.0000 -149.58809 -143.26948 6.31861 2.48488 -143.97458 810.67514
5140.0000 -149.87433 -143.35307 6.52126 2.50305 -143.68996 786.49160
5145.0000 -150.07506 -144.31739 5.75767 2.47221 -144.17306 801.47812
5150.0000 -151.43414 -143.33899 8.09515 2.49970 -143.74251 807.93899
5155.0000 -150.16308 -144.21438 5.94870 2.49214 -143.86089 823.36566
5160.0000 -150.88293 -142.59046 8.29248 2.53537 -143.18369 851.81765
5165.0000 -149.91327 -143.01299 6.90028 2.54853 -142.97757 868.36187
5170.0000 -151.62925 -145.12614 6.50311 2.51118 -143.56265 841.91777
5175.0000 -152.47791 -146.23203 6.24588 2.38615 -145.52124 759.53488
5180.0000 -151.18250 -145.13012 6.05238 2.38012 -145.61566 734.69526
5185.0000 -151.42609 -144.39476 7.03133 2.44151 -144.65393 787.23786
5190.0000 -151.54216 -144.44174 7.10042 2.41888 -145.00846 759.68078
5195.0000 -150.72170 -144.62779 6.09390 2.47418 -144.14228 809.13173
5200.0000 -150.17680 -143.52230 6.65449 2.44313 -144.62867 788.68678
5205.0000 -150.63674 -143.89096 6.74578 2.53729 -143.15353 856.64334
5210.0000 -150.48766 -144.15778 6.32989 2.44168 -144.65130 795.99345
5215.0000 -150.91745 -144.22341 6.69404 2.47044 -144.20072 797.22597
5220.0000 -151.11145 -145.50100 5.61045 2.41968 -144.99600 771.25320
5225.0000 -150.72653 -144.90378 5.82275 2.40799 -145.17901 766.80588
5230.0000 -151.38718 -145.78159 5.60560 2.41848 -145.01472 775.90515
5235.0000 -152.79991 -146.00005 6.79987 2.37709 -145.66315 758.13894
5240.0000 -149.65411 -144.28886 5.36525 2.39401 -145.39803 722.33371
5245.0000 -150.07819 -144.16131 5.91688 2.51824 -143.45202 819.03787
5250.0000 -150.61173 -143.99819 6.61353 2.51518 -143.49995 802.91754
FREEZING PROCESS: loop number 22 T-loop= 750.00000000000000
main_MD> interactions number 22 at Temperature= 750.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.71756 1.27829 -2.20382
force_rgl> df(natom) -3.66634 0.62536 0.39201
5255.0000 -150.75339 -145.37022 5.38317 2.42840 -144.85927 796.77951
5260.0000 -150.50990 -144.21907 6.29083 2.45026 -144.51686 775.29649
5265.0000 -150.98223 -144.82581 6.15642 2.43224 -144.79926 789.81142
5270.0000 -151.92091 -145.76762 6.15329 2.43051 -144.82632 797.60720
5275.0000 -151.95278 -146.33027 5.62250 2.36707 -145.82009 752.57050
5280.0000 -152.07203 -147.13705 4.93498 2.34223 -146.20911 723.03240
5285.0000 -150.40019 -144.92493 5.47525 2.37685 -145.66686 731.35759
5290.0000 -150.90974 -144.70003 6.20971 2.38444 -145.54797 735.53955
5295.0000 -150.99001 -145.19259 5.79742 2.43367 -144.77683 796.76307
5300.0000 -150.70680 -144.92704 5.77976 2.46633 -144.26512 772.07137
5305.0000 -151.08982 -145.85976 5.23006 2.38439 -145.54882 719.64257
5310.0000 -151.26730 -145.67557 5.59173 2.33865 -146.26525 705.88452
5315.0000 -152.23838 -146.40927 5.82911 2.38852 -145.48412 728.51405
5320.0000 -151.36282 -145.62760 5.73522 2.34994 -146.08846 711.73080
5325.0000 -152.01501 -145.91826 6.09674 2.38004 -145.61683 737.83067
5330.0000 -150.71424 -145.53943 5.17481 2.38164 -145.59184 733.93552
5335.0000 -151.09874 -145.01627 6.08247 2.41606 -145.05260 743.49363
5340.0000 -150.09940 -144.74063 5.35876 2.42541 -144.90617 775.95200
5345.0000 -151.66573 -146.21118 5.45456 2.43264 -144.79299 780.60388
5350.0000 -151.81382 -146.17739 5.63642 2.33493 -146.32348 691.68620
5355.0000 -150.22350 -143.81708 6.40641 2.42343 -144.93720 748.78822
5360.0000 -152.00908 -145.63579 6.37329 2.41630 -145.04888 766.38426
5365.0000 -151.64867 -146.32847 5.32020 2.35964 -145.93649 720.01747
5370.0000 -152.02454 -146.31277 5.71176 2.36404 -145.86756 722.16378
5375.0000 -152.90554 -146.47984 6.42570 2.35093 -146.07293 751.81278
5380.0000 -152.27563 -147.48403 4.79160 2.30856 -146.73665 713.75028
5385.0000 -151.84180 -146.29776 5.54404 2.34777 -146.12238 702.65488
5390.0000 -150.55891 -144.96557 5.59334 2.37670 -145.66915 733.90980
5395.0000 -150.55468 -144.25881 6.29586 2.43265 -144.79270 773.03526
5400.0000 -148.79895 -142.37720 6.42175 2.55772 -142.83352 824.95179
5405.0000 -150.91710 -143.88633 7.03077 2.57274 -142.59831 855.29363
5410.0000 -150.76182 -145.23160 5.53022 2.42099 -144.97547 763.45524
5415.0000 -150.66856 -144.66069 6.00787 2.45078 -144.50869 794.95678
5420.0000 -152.66923 -146.11589 6.55334 2.36713 -145.81919 737.60518
5425.0000 -151.40687 -145.50500 5.90187 2.35548 -146.00165 693.49406
5430.0000 -153.28950 -146.97303 6.31647 2.35491 -146.01063 729.70465
5435.0000 -152.81354 -146.10672 6.70682 2.34992 -146.08876 731.06616
5440.0000 -151.49238 -145.34092 6.15146 2.37727 -145.66023 734.66028
5445.0000 -150.81755 -145.05400 5.76355 2.41133 -145.12672 741.73521
5450.0000 -151.40012 -145.65168 5.74844 2.41031 -145.14265 761.45720
5455.0000 -152.12381 -145.31746 6.80634 2.41095 -145.13276 779.30691
5460.0000 -152.01213 -144.78358 7.22855 2.39746 -145.34402 752.91646
5465.0000 -151.00265 -144.83855 6.16410 2.41909 -145.00525 773.25118
5470.0000 -152.47202 -146.13524 6.33678 2.40673 -145.19876 755.27107
5475.0000 -151.44905 -145.53200 5.91705 2.36472 -145.85682 738.37896
5480.0000 -150.54845 -144.47518 6.07327 2.40390 -145.24305 757.97971
5485.0000 -150.93089 -143.74320 7.18769 2.48504 -143.97206 789.05906
5490.0000 -150.35159 -145.37950 4.97209 2.43634 -144.73489 780.53213
5495.0000 -150.23711 -145.19855 5.03855 2.38381 -145.55788 724.76860
5500.0000 -150.69780 -145.78603 4.91177 2.37392 -145.71280 744.18836
FREEZING PROCESS: loop number 23 T-loop= 725.00000000000000
main_MD> interactions number 23 at Temperature= 725.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.51624 4.14418 -0.92919
force_rgl> df(natom) 0.70685 2.05739 1.37511
5505.0000 -150.35298 -144.47409 5.87889 2.39023 -145.45727 740.63030
5510.0000 -152.28660 -146.37577 5.91083 2.39050 -145.45310 743.67549
5515.0000 -150.75954 -145.18710 5.57243 2.33488 -146.32440 696.91320
5520.0000 -152.03871 -146.54786 5.49085 2.34009 -146.24273 712.65129
5525.0000 -151.33157 -145.30792 6.02365 2.36721 -145.81796 734.44541
5530.0000 -152.55018 -147.01529 5.53489 2.36392 -145.86947 771.82992
5535.0000 -151.20375 -146.11008 5.09367 2.34639 -146.14396 712.14467
5540.0000 -150.90815 -145.60417 5.30398 2.34466 -146.17115 700.30885
5545.0000 -152.62718 -146.95520 5.67198 2.34718 -146.13166 703.02199
5550.0000 -151.13878 -145.86139 5.27739 2.30462 -146.79840 689.35040
5555.0000 -153.52046 -147.28023 6.24022 2.31779 -146.59211 712.49937
5560.0000 -149.94776 -144.42629 5.52147 2.38188 -145.58804 757.00496
5565.0000 -151.57753 -144.72440 6.85313 2.39706 -145.35022 782.28571
5570.0000 -150.18533 -143.38630 6.79903 2.46088 -144.35049 790.23319
5575.0000 -151.22060 -145.30711 5.91348 2.47576 -144.11746 811.82038
5580.0000 -150.88219 -145.40543 5.47676 2.42631 -144.89205 760.05450
5585.0000 -151.25034 -144.52535 6.72500 2.37968 -145.62251 732.33819
5590.0000 -150.55459 -144.36019 6.19441 2.46375 -144.30557 797.58248
5595.0000 -150.23340 -143.39571 6.83769 2.49786 -143.77122 841.08785
5600.0000 -151.20962 -145.33386 5.87576 2.49290 -143.84903 819.85278
5605.0000 -150.94545 -145.28668 5.65878 2.40596 -145.21080 740.41749
5610.0000 -150.82848 -144.46843 6.36005 2.44623 -144.57999 761.55035
5615.0000 -151.41307 -144.91647 6.49660 2.45775 -144.39956 800.41097
5620.0000 -151.06568 -145.07696 5.98872 2.38857 -145.48332 751.76674
5625.0000 -151.32441 -145.04538 6.27903 2.38743 -145.50108 732.06364
5630.0000 -150.56946 -144.65915 5.91030 2.43600 -144.74022 797.66644
5635.0000 -149.98381 -144.09759 5.88622 2.45513 -144.44060 755.54916
5640.0000 -150.86443 -144.95903 5.90540 2.44969 -144.52591 765.23570
5645.0000 -150.86305 -144.99660 5.86645 2.43580 -144.74340 770.04307
5650.0000 -152.31034 -144.39339 7.91694 2.41763 -145.02805 784.18866
5655.0000 -150.63451 -145.68010 4.95441 2.42702 -144.88095 746.11580
5660.0000 -151.23843 -145.57535 5.66309 2.35116 -146.06930 698.75043
5665.0000 -151.31261 -145.51937 5.79323 2.37734 -145.65922 729.81837
5670.0000 -150.96403 -143.93454 7.02948 2.45096 -144.50596 766.63312
5675.0000 -151.03405 -145.09663 5.93741 2.42496 -144.91319 752.19601
5680.0000 -149.52606 -143.88343 5.64262 2.45597 -144.42752 759.01429
5685.0000 -152.24173 -146.54397 5.69776 2.40586 -145.21241 748.09630
5690.0000 -151.76507 -146.60259 5.16248 2.32408 -146.49343 694.29371
5695.0000 -151.02023 -145.41243 5.60780 2.32246 -146.51890 669.66875
5700.0000 -151.28933 -145.32551 5.96383 2.40360 -145.24789 719.55680
5705.0000 -150.44241 -145.24729 5.19512 2.42652 -144.88872 749.34157
5710.0000 -150.59236 -144.42391 6.16844 2.37759 -145.65530 725.27504
5715.0000 -152.06304 -145.60519 6.45785 2.41183 -145.11894 744.06475
5720.0000 -150.18981 -144.60082 5.58898 2.41225 -145.11237 761.94040
5725.0000 -151.50013 -145.43053 6.06960 2.41233 -145.11105 742.49635
5730.0000 -151.47499 -145.49587 5.97912 2.38934 -145.47120 742.96295
5735.0000 -150.94933 -145.87697 5.07236 2.42265 -144.94942 778.70059
5740.0000 -151.93862 -145.20009 6.73853 2.36661 -145.82735 708.58754
5745.0000 -151.48768 -145.43661 6.05107 2.43199 -144.80315 789.14212
5750.0000 -151.89299 -146.54316 5.34983 2.36515 -145.85008 697.12090
FREEZING PROCESS: loop number 24 T-loop= 700.00000000000000
main_MD> interactions number 24 at Temperature= 700.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.38435 -0.86332 0.15805
force_rgl> df(natom) -0.96939 2.77820 0.33445
5755.0000 -152.42433 -146.01157 6.41277 2.36306 -145.88286 721.61654
5760.0000 -152.93989 -146.32167 6.61822 2.32196 -146.52676 693.68250
5765.0000 -152.51147 -146.87237 5.63910 2.34572 -146.15459 719.19137
5770.0000 -150.73831 -144.28807 6.45023 2.34769 -146.12371 732.63930
5775.0000 -150.61861 -144.46593 6.15268 2.45139 -144.49925 794.31260
5780.0000 -152.03902 -146.04985 5.98917 2.41015 -145.14526 778.98137
5785.0000 -151.46669 -145.51839 5.94829 2.34635 -146.14459 702.94706
5790.0000 -152.32023 -146.50157 5.81866 2.34314 -146.19491 724.25977
5795.0000 -152.81899 -147.51377 5.30522 2.28065 -147.17385 656.59784
5800.0000 -152.38302 -147.45364 4.92938 2.23413 -147.90262 609.57909
5805.0000 -152.67395 -147.06165 5.61230 2.26242 -147.45942 639.95150
5810.0000 -151.01224 -145.28104 5.73119 2.35489 -146.01087 743.18507
5815.0000 -151.50634 -146.85662 4.64972 2.36312 -145.88192 709.70374
5820.0000 -152.78102 -146.97411 5.80690 2.26522 -147.41553 660.88756
5825.0000 -151.09308 -144.85230 6.24078 2.37054 -145.76564 729.40261
5830.0000 -152.14778 -146.49599 5.65179 2.41651 -145.04561 764.32979
5835.0000 -152.14056 -146.52967 5.61089 2.32295 -146.51119 681.58246
5840.0000 -153.07170 -147.88556 5.18614 2.28151 -147.16032 671.07204
5845.0000 -152.05045 -146.14034 5.91012 2.27596 -147.24731 664.20176
5850.0000 -152.58338 -147.15272 5.43066 2.30403 -146.80756 682.34325
5855.0000 -150.96269 -145.51301 5.44968 2.32254 -146.51771 705.60118
5860.0000 -151.69528 -145.14705 6.54823 2.39015 -145.45851 736.42612
5865.0000 -152.34544 -147.49498 4.85046 2.33194 -146.37037 686.26088
5870.0000 -152.73401 -146.68753 6.04648 2.28893 -147.04416 649.81503
5875.0000 -152.21696 -146.22941 5.98755 2.34968 -146.09245 696.93515
5880.0000 -151.52488 -145.36761 6.15727 2.40026 -145.30020 760.61910
5885.0000 -152.22547 -146.06110 6.16437 2.36932 -145.78481 740.37709
5890.0000 -151.88959 -146.65809 5.23150 2.35653 -145.98515 725.33475
5895.0000 -152.84204 -147.07099 5.77105 2.34453 -146.17319 745.54816
5900.0000 -150.81005 -145.66803 5.14202 2.29313 -146.97827 693.59537
5905.0000 -152.43807 -145.75873 6.67934 2.34848 -146.11126 715.94399
5910.0000 -152.36537 -146.68834 5.67703 2.29259 -146.98676 687.55897
5915.0000 -150.42583 -145.14781 5.27803 2.36517 -145.84978 749.73832
5920.0000 -151.26681 -146.17223 5.09457 2.39279 -145.41711 717.98250
5925.0000 -151.31040 -145.76942 5.54098 2.33232 -146.36447 672.07627
5930.0000 -151.36158 -145.61778 5.74380 2.37288 -145.72910 731.89254
5935.0000 -152.14941 -146.58609 5.56333 2.35815 -145.95976 683.84689
5940.0000 -151.27580 -145.92095 5.35485 2.31358 -146.65800 675.24874
5945.0000 -152.62023 -146.21296 6.40726 2.34999 -146.08766 733.33566
5950.0000 -152.44892 -147.50488 4.94404 2.30836 -146.73970 716.87408
5955.0000 -153.42528 -147.90536 5.51992 2.24479 -147.73552 645.99125
5960.0000 -153.28693 -148.21977 5.06715 2.20520 -148.35568 629.40934
5965.0000 -152.02312 -146.45707 5.56605 2.27043 -147.33400 675.63284
5970.0000 -152.12738 -146.76191 5.36547 2.30160 -146.84570 705.03711
5975.0000 -152.57857 -147.38994 5.18863 2.29214 -146.99386 695.81979
5980.0000 -153.16837 -147.59675 5.57162 2.28007 -147.18291 655.63619
5985.0000 -152.38935 -147.37697 5.01238 2.28047 -147.17666 651.14689
5990.0000 -152.64650 -147.46673 5.17977 2.28855 -147.05002 691.92049
5995.0000 -151.93787 -146.18296 5.75491 2.28808 -147.05751 693.59675
6000.0000 -151.96255 -146.26981 5.69273 2.33903 -146.25929 712.96095
FREEZING PROCESS: loop number 25 T-loop= 675.00000000000000
main_MD> interactions number 25 at Temperature= 675.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.48841 2.37791 -4.22432
force_rgl> df(natom) -4.36548 6.65331 0.89272
6005.0000 -151.00267 -145.88785 5.11482 2.39415 -145.39588 751.04109
6010.0000 -150.76725 -144.79698 5.97027 2.37025 -145.77032 742.59362
6015.0000 -151.05572 -145.05220 6.00352 2.42991 -144.83568 769.25806
6020.0000 -153.28790 -148.33830 4.94960 2.28047 -147.17663 686.79747
6025.0000 -153.22142 -147.51694 5.70448 2.17229 -148.87126 592.67306
6030.0000 -152.58276 -146.80235 5.78041 2.30695 -146.76190 691.55058
6035.0000 -151.48487 -146.44026 5.04461 2.31485 -146.63812 702.43856
6040.0000 -151.95039 -145.11034 6.84006 2.39263 -145.41961 765.98814
6045.0000 -152.54939 -147.58443 4.96497 2.36246 -145.89230 728.75141
6050.0000 -153.00223 -147.73238 5.26985 2.25720 -147.54111 671.10560
6055.0000 -152.88254 -146.70839 6.17415 2.26526 -147.41488 676.49161
6060.0000 -153.09578 -147.06937 6.02641 2.31247 -146.67539 729.84288
6065.0000 -152.54613 -147.45073 5.09540 2.29453 -146.95641 680.34958
6070.0000 -152.04874 -146.26991 5.77883 2.27588 -147.24851 649.54065
6075.0000 -151.94467 -145.84130 6.10337 2.33507 -146.32140 710.55612
6080.0000 -151.86518 -146.45573 5.40945 2.32921 -146.41311 712.10660
6085.0000 -150.96906 -146.13540 4.83366 2.34463 -146.17153 690.92906
6090.0000 -151.74785 -146.93425 4.81360 2.32343 -146.50367 700.75332
6095.0000 -152.62827 -146.54903 6.07923 2.28480 -147.10888 673.17082
6100.0000 -151.49513 -145.73467 5.76046 2.37814 -145.64663 747.13361
6105.0000 -152.67420 -147.67866 4.99554 2.28049 -147.17631 627.57380
6110.0000 -152.06257 -146.55199 5.51057 2.28455 -147.11278 659.25498
6115.0000 -152.57743 -147.28224 5.29519 2.36006 -145.92987 739.67020
6120.0000 -152.97563 -147.68819 5.28744 2.28492 -147.10693 692.74745
6125.0000 -152.82306 -147.14401 5.67905 2.25291 -147.60842 662.01554
6130.0000 -152.31882 -146.37742 5.94140 2.28080 -147.17154 669.83197
6135.0000 -151.88775 -147.21271 4.67504 2.32594 -146.46434 725.54576
6140.0000 -152.43853 -146.90440 5.53413 2.26744 -147.38078 646.76731
6145.0000 -153.35554 -147.20318 6.15236 2.28420 -147.11824 684.68640
6150.0000 -153.34054 -148.17806 5.16248 2.28047 -147.17672 682.43150
6155.0000 -152.61247 -147.21397 5.39850 2.22598 -148.03031 625.76586
6160.0000 -152.36858 -146.84466 5.52393 2.30525 -146.78849 677.82467
6165.0000 -151.24978 -145.30056 5.94922 2.32340 -146.50410 714.95351
6170.0000 -153.08740 -146.54269 6.54471 2.34713 -146.13248 701.51890
6175.0000 -151.27767 -145.85246 5.42522 2.31611 -146.61842 686.64745
6180.0000 -151.78887 -146.84588 4.94299 2.35991 -145.93224 719.88435
6185.0000 -153.22175 -147.70123 5.52052 2.27219 -147.30640 659.49232
6190.0000 -152.52595 -146.93432 5.59163 2.27541 -147.25597 641.93345
6195.0000 -151.74965 -146.70772 5.04193 2.35997 -145.93126 707.17089
6200.0000 -152.14134 -146.64449 5.49685 2.34011 -146.24243 689.31567
6205.0000 -151.00458 -145.15840 5.84618 2.33753 -146.28281 697.79019
6210.0000 -153.14912 -147.68414 5.46497 2.31407 -146.65025 705.44368
6215.0000 -152.00171 -146.51367 5.48804 2.27062 -147.33092 672.05713
6220.0000 -151.59384 -146.95147 4.64237 2.30243 -146.83262 709.12143
6225.0000 -153.83467 -149.22694 4.60774 2.23714 -147.85539 639.59947
6230.0000 -152.33073 -147.53683 4.79390 2.22935 -147.97751 624.10076
6235.0000 -151.63745 -146.06596 5.57149 2.30073 -146.85928 673.65235
6240.0000 -151.45447 -145.91483 5.53964 2.32946 -146.40930 712.58669
6245.0000 -152.53822 -147.34018 5.19804 2.30525 -146.78855 702.49913
6250.0000 -153.34462 -147.71203 5.63259 2.28700 -147.07444 705.50468
FREEZING PROCESS: loop number 26 T-loop= 650.00000000000000
main_MD> interactions number 26 at Temperature= 650.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.68106 0.15806 1.54783
force_rgl> df(natom) 1.25116 -0.15770 1.40966
6255.0000 -152.25752 -146.91288 5.34464 2.23053 -147.95891 663.36717
6260.0000 -153.89543 -149.05023 4.84520 2.22313 -148.07481 616.68010
6265.0000 -153.16345 -148.52108 4.64237 2.19181 -148.56553 603.52471
6270.0000 -152.73137 -146.73355 5.99783 2.24397 -147.74846 620.47672
6275.0000 -152.04973 -146.45630 5.59343 2.29550 -146.94124 678.94527
6280.0000 -152.00548 -146.33010 5.67538 2.35349 -146.03281 699.57759
6285.0000 -153.18724 -148.98857 4.19868 2.26873 -147.36052 627.66338
6290.0000 -153.06641 -147.97952 5.08689 2.21187 -148.25126 587.46626
6295.0000 -154.17138 -148.87618 5.29521 2.22966 -147.97262 637.75902
6300.0000 -153.37387 -147.74621 5.62766 2.20783 -148.31460 625.65544
6305.0000 -152.42813 -147.00811 5.42002 2.23364 -147.91027 626.57713
6310.0000 -152.63491 -146.56146 6.07345 2.30218 -146.83662 697.32680
6315.0000 -152.90705 -148.13785 4.76920 2.29706 -146.91670 678.96633
6320.0000 -153.16612 -147.90081 5.26531 2.28429 -147.11683 667.45319
6325.0000 -153.36774 -148.32946 5.03829 2.24701 -147.70074 652.27171
6330.0000 -152.13343 -147.16855 4.96488 2.22584 -148.03242 613.20630
6335.0000 -152.47595 -147.29279 5.18316 2.28172 -147.15709 656.92920
6340.0000 -153.45384 -148.19227 5.26157 2.25056 -147.64512 696.82482
6345.0000 -152.57787 -147.37938 5.19849 2.23469 -147.89379 666.77071
6350.0000 -151.80829 -147.17625 4.63204 2.25748 -147.53678 668.89972
6355.0000 -152.32639 -146.17404 6.15235 2.31517 -146.63308 716.63394
6360.0000 -151.04372 -145.69135 5.35237 2.32364 -146.50037 702.18958
6365.0000 -151.71457 -147.42139 4.29319 2.33745 -146.28401 690.44611
6370.0000 -153.03184 -147.65616 5.37567 2.25358 -147.59793 658.68157
6375.0000 -153.25913 -148.01597 5.24316 2.23750 -147.84973 653.52947
6380.0000 -153.82035 -149.05052 4.76983 2.22420 -148.05815 652.69546
6385.0000 -153.14455 -147.68625 5.45830 2.21960 -148.13017 637.29188
6390.0000 -152.00176 -146.73358 5.26819 2.27057 -147.33175 649.69644
6395.0000 -151.62503 -146.50563 5.11940 2.29923 -146.88277 662.51576
6400.0000 -152.08682 -146.33572 5.75110 2.30273 -146.82796 681.31238
6405.0000 -153.30942 -146.72022 6.58920 2.31416 -146.64887 720.38147
6410.0000 -153.21412 -147.90622 5.30790 2.27981 -147.18695 692.29716
6415.0000 -154.36116 -149.68965 4.67151 2.16057 -149.05492 591.00139
6420.0000 -152.89310 -147.93702 4.95607 2.15803 -149.09464 579.86737
6425.0000 -152.69001 -145.81970 6.87031 2.27695 -147.23183 669.14096
6430.0000 -152.40983 -146.14217 6.26766 2.33855 -146.26684 732.16768
6435.0000 -153.91264 -148.59183 5.32081 2.24514 -147.73010 680.33808
6440.0000 -153.98368 -148.97775 5.00593 2.15969 -149.06866 595.50452
6445.0000 -152.37097 -147.52118 4.84978 2.18406 -148.68696 587.15877
6450.0000 -153.29444 -148.55814 4.73630 2.23101 -147.95138 618.40037
6455.0000 -154.37168 -149.24088 5.13080 2.19650 -148.49206 638.51522
6460.0000 -154.77494 -149.56667 5.20828 2.13854 -149.39991 622.03624
6465.0000 -153.68784 -149.38907 4.29877 2.12485 -149.61439 591.45037
6470.0000 -154.30372 -150.03153 4.27219 2.11607 -149.75198 568.51540
6475.0000 -153.13534 -147.75328 5.38206 2.16043 -149.05704 605.65474
6480.0000 -153.26809 -147.75299 5.51510 2.25201 -147.62241 643.11243
6485.0000 -152.43288 -146.91382 5.51906 2.26016 -147.49478 645.83709
6490.0000 -152.31707 -147.11227 5.20480 2.29106 -147.01076 667.59894
6495.0000 -152.73564 -147.03082 5.70482 2.28740 -147.06805 674.85121
6500.0000 -153.06493 -147.65904 5.40589 2.29536 -146.94346 676.04772
FREEZING PROCESS: loop number 27 T-loop= 625.00000000000000
main_MD> interactions number 27 at Temperature= 625.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.02553 0.27973 -1.39336
force_rgl> df(natom) -1.78344 -1.24157 1.26563
6505.0000 -152.95784 -147.71911 5.23873 2.27874 -147.20375 677.79360
6510.0000 -152.85779 -147.37403 5.48376 2.27698 -147.23128 660.35468
6515.0000 -154.12732 -148.32399 5.80333 2.20867 -148.30143 622.37201
6520.0000 -154.32812 -148.78397 5.54415 2.19169 -148.56744 605.40549
6525.0000 -153.29133 -147.60559 5.68574 2.19543 -148.50878 612.56041
6530.0000 -153.11559 -148.14419 4.97140 2.22909 -147.98158 636.58111
6535.0000 -153.48400 -147.76075 5.72324 2.23698 -147.85796 618.46757
6540.0000 -153.18557 -147.50340 5.68217 2.25174 -147.62666 645.47668
6545.0000 -153.60927 -148.85199 4.75727 2.23179 -147.93922 652.05069
6550.0000 -154.11807 -148.24726 5.87081 2.19514 -148.51334 635.82527
6555.0000 -153.57218 -149.15690 4.41527 2.18505 -148.67134 623.38227
6560.0000 -154.95644 -150.63336 4.32308 2.08984 -150.16282 558.78335
6565.0000 -153.88684 -149.82348 4.06337 2.08165 -150.29111 556.55284
6570.0000 -154.58730 -149.52278 5.06452 2.11257 -149.80685 572.62820
6575.0000 -153.59144 -148.83575 4.75569 2.14204 -149.34516 590.85395
6580.0000 -153.73294 -147.50719 6.22576 2.19554 -148.50704 613.00681
6585.0000 -153.36151 -148.88585 4.47566 2.20897 -148.29664 635.25746
6590.0000 -152.43383 -147.79521 4.63863 2.14667 -149.27258 568.36608
6595.0000 -152.66303 -147.58322 5.07981 2.30098 -146.85543 722.74898
6600.0000 -152.70027 -147.83276 4.86751 2.24172 -147.78362 655.92365
6605.0000 -152.24967 -146.41658 5.83309 2.25548 -147.56808 654.76071
6610.0000 -153.49768 -147.96712 5.53056 2.23797 -147.84246 643.33402
6615.0000 -153.18765 -148.56479 4.62286 2.20547 -148.35153 618.34005
6620.0000 -153.36663 -148.36349 5.00314 2.21482 -148.20506 605.04228
6625.0000 -152.95070 -147.85153 5.09916 2.22554 -148.03709 618.85726
6630.0000 -152.16978 -148.15136 4.01841 2.23180 -147.93910 653.02021
6635.0000 -153.55865 -149.12765 4.43099 2.17444 -148.83766 617.99756
6640.0000 -153.01314 -148.43708 4.57606 2.14149 -149.35369 588.85369
6645.0000 -154.04701 -148.77586 5.27115 2.22370 -148.06594 660.00400
6650.0000 -152.75640 -147.65499 5.10141 2.23264 -147.92587 642.08477
6655.0000 -153.27499 -148.86911 4.40588 2.22976 -147.97105 654.59009
6660.0000 -153.83364 -149.14675 4.68689 2.18460 -148.67842 625.04611
6665.0000 -153.13133 -148.49996 4.63137 2.13632 -149.43468 571.01178
6670.0000 -152.93367 -149.06949 3.86418 2.18299 -148.70371 602.45229
6675.0000 -153.50269 -148.56484 4.93785 2.16597 -148.97030 601.68759
6680.0000 -153.98342 -148.61784 5.36558 2.18634 -148.65115 606.50726
6685.0000 -152.77240 -147.41892 5.35348 2.21445 -148.21082 630.16820
6690.0000 -151.88479 -146.90081 4.98397 2.26379 -147.43801 677.56077
6695.0000 -153.86573 -148.46882 5.39691 2.23664 -147.86321 645.62281
6700.0000 -153.17969 -148.08479 5.09490 2.19730 -148.47950 613.91081
6705.0000 -153.76558 -147.96311 5.80247 2.26247 -147.45867 652.11357
6710.0000 -153.14324 -147.74669 5.39655 2.24952 -147.66151 629.41914
6715.0000 -151.88167 -146.53516 5.34652 2.28677 -147.07803 664.43051
6720.0000 -153.19757 -147.15461 6.04296 2.29740 -146.91141 692.61088
6725.0000 -153.59512 -148.20723 5.38789 2.22748 -148.00677 649.80299
6730.0000 -153.80180 -147.93142 5.87038 2.20275 -148.39408 602.92214
6735.0000 -152.23850 -146.83026 5.40824 2.27543 -147.25554 656.79511
6740.0000 -151.66436 -146.79050 4.87386 2.34036 -146.23847 717.38353
6745.0000 -151.74097 -145.94362 5.79735 2.27919 -147.19664 685.06127
6750.0000 -151.86374 -146.68321 5.18054 2.33735 -146.28567 728.77176
FREEZING PROCESS: loop number 28 T-loop= 600.00000000000000
main_MD> interactions number 28 at Temperature= 600.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94392 -0.33473 2.38387
force_rgl> df(natom) 2.20117 2.78869 -3.97787
6755.0000 -152.38998 -146.86428 5.52570 2.31413 -146.64933 680.09205
6760.0000 -152.27057 -147.56630 4.70427 2.27558 -147.25332 662.80443
6765.0000 -151.64108 -146.64757 4.99351 2.28509 -147.10423 652.80492
6770.0000 -152.93635 -148.37173 4.56462 2.25828 -147.52418 619.12033
6775.0000 -153.22507 -147.82621 5.39886 2.21773 -148.15945 632.87112
6780.0000 -152.46144 -148.21804 4.24339 2.23106 -147.95058 648.88730
6785.0000 -153.29875 -148.68929 4.60946 2.20671 -148.33202 597.38879
6790.0000 -153.54567 -149.29365 4.25202 2.16630 -148.96505 582.53274
6795.0000 -153.37267 -149.77204 3.60064 2.13054 -149.52526 547.62591
6800.0000 -153.70183 -149.14709 4.55474 2.11390 -149.78598 545.18269
6805.0000 -154.00146 -149.26282 4.73864 2.10871 -149.86728 546.74715
6810.0000 -154.63088 -149.69039 4.94049 2.12574 -149.60043 580.81876
6815.0000 -153.38408 -148.91072 4.47336 2.16468 -148.99056 598.15892
6820.0000 -153.45190 -148.88575 4.56616 2.17747 -148.79021 607.99598
6825.0000 -154.48713 -149.45062 5.03651 2.14739 -149.26135 560.66600
6830.0000 -154.22934 -149.80976 4.41957 2.11900 -149.70607 558.33732
6835.0000 -152.96599 -148.20782 4.75817 2.15975 -149.06775 573.16940
6840.0000 -153.96507 -148.76004 5.20503 2.21891 -148.14106 639.82017
6845.0000 -153.90804 -149.68990 4.21814 2.16318 -149.01392 608.72192
6850.0000 -154.34656 -149.41442 4.93214 2.13052 -149.52556 588.16685
6855.0000 -154.61571 -150.23528 4.38043 2.10168 -149.97742 550.85802
6860.0000 -153.96538 -149.16605 4.79933 2.12834 -149.55980 573.85897
6865.0000 -153.42929 -148.87104 4.55825 2.17935 -148.76071 619.73355
6870.0000 -152.84636 -148.35247 4.49389 2.19416 -148.52862 614.61893
6875.0000 -154.15478 -150.36080 3.79398 2.17281 -148.86312 608.18522
6880.0000 -153.13990 -149.21450 3.92539 2.15788 -149.09696 567.53186
6885.0000 -154.67124 -148.89809 5.77315 2.17716 -148.79500 618.41016
6890.0000 -154.49021 -150.01620 4.47401 2.13852 -149.40030 597.09656
6895.0000 -154.75880 -150.44013 4.31867 2.06403 -150.56717 549.39160
6900.0000 -154.47832 -150.42093 4.05739 2.06277 -150.58693 536.85431
6905.0000 -154.01658 -148.96606 5.05052 2.09308 -150.11204 564.80466
6910.0000 -152.83766 -148.05765 4.78001 2.22325 -148.07304 627.66767
6915.0000 -153.56807 -149.41642 4.15165 2.22165 -148.09806 618.14794
6920.0000 -152.87453 -149.08063 3.79390 2.14970 -149.22519 563.70982
6925.0000 -152.57560 -147.81150 4.76410 2.20000 -148.43717 616.76155
6930.0000 -153.21350 -148.10662 5.10688 2.25608 -147.55871 659.70208
6935.0000 -154.00711 -147.96556 6.04155 2.23775 -147.84586 662.76197
6940.0000 -153.13842 -148.67333 4.46509 2.20926 -148.29216 649.34325
6945.0000 -154.94091 -149.09869 5.84222 2.15810 -149.09357 609.01273
6950.0000 -153.82851 -149.02931 4.79919 2.17976 -148.75419 606.70791
6955.0000 -153.78615 -149.88961 3.89654 2.13559 -149.44626 585.50863
6960.0000 -153.13024 -149.34689 3.78336 2.14086 -149.36370 574.92208
6965.0000 -154.71913 -149.94975 4.76937 2.14408 -149.31321 555.16379
6970.0000 -154.42621 -149.50452 4.92169 2.07676 -150.36767 520.20904
6975.0000 -153.65979 -149.68385 3.97594 2.12500 -149.61202 567.33850
6980.0000 -153.57184 -148.96251 4.60934 2.17045 -148.90013 599.84081
6985.0000 -154.07292 -149.80407 4.26885 2.12387 -149.62985 562.51853
6990.0000 -155.03795 -150.11041 4.92754 2.11763 -149.72754 597.64334
6995.0000 -154.73815 -150.82459 3.91356 2.09600 -150.06631 586.14153
7000.0000 -153.94291 -149.34548 4.59743 2.11304 -149.79937 563.39102
FREEZING PROCESS: loop number 29 T-loop= 575.00000000000000
main_MD> interactions number 29 at Temperature= 575.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.31769 -0.74065 0.18525
force_rgl> df(natom) -0.84302 -1.70341 -1.21354
7005.0000 -153.26923 -149.41150 3.85772 2.16207 -149.03137 588.72572
7010.0000 -153.10929 -148.52713 4.58216 2.18009 -148.74917 590.28818
7015.0000 -153.35414 -148.36920 4.98493 2.23134 -147.94627 619.73210
7020.0000 -153.27669 -148.43825 4.83844 2.20272 -148.39463 623.75023
7025.0000 -154.92474 -148.87493 6.04980 2.18304 -148.70283 604.76875
7030.0000 -154.05720 -149.47084 4.58636 2.13155 -149.50942 583.64929
7035.0000 -155.15778 -150.60533 4.55245 2.10410 -149.93945 578.41091
7040.0000 -155.64994 -151.01599 4.63394 2.05576 -150.69675 516.49193
7045.0000 -154.06655 -150.52722 3.53934 2.06904 -150.48868 516.71234
7050.0000 -152.69947 -148.05302 4.64646 2.15453 -149.14954 584.41545
7055.0000 -154.03176 -147.82901 6.20275 2.23905 -147.82544 641.22201
7060.0000 -153.46761 -149.78280 3.68481 2.15087 -149.20689 581.31521
7065.0000 -153.24320 -148.96291 4.28029 2.15401 -149.15769 564.77042
7070.0000 -154.05286 -150.37262 3.68025 2.10753 -149.88579 524.70604
7075.0000 -154.04730 -150.08988 3.95742 2.10516 -149.92279 539.00165
7080.0000 -154.71324 -150.40995 4.30329 2.08900 -150.17602 525.08320
7085.0000 -154.41003 -149.97722 4.43281 2.11374 -149.78843 559.77393
7090.0000 -153.87467 -150.50883 3.36584 2.09246 -150.12180 536.19082
7095.0000 -154.31179 -150.68487 3.62692 2.06905 -150.48860 524.64175
7100.0000 -153.26935 -148.75850 4.51085 2.11844 -149.71491 559.96536
7105.0000 -154.34530 -149.09992 5.24539 2.19555 -148.50688 627.72341
7110.0000 -153.77859 -149.44383 4.33476 2.15326 -149.16937 598.20812
7115.0000 -153.81060 -149.14681 4.66379 2.15230 -149.18449 569.18672
7120.0000 -154.04190 -149.57224 4.46966 2.13446 -149.46394 557.37423
7125.0000 -153.92293 -149.00088 4.92205 2.14204 -149.34508 565.73074
7130.0000 -154.49335 -149.94282 4.55053 2.14296 -149.33073 596.94824
7135.0000 -154.27066 -149.64314 4.62752 2.15150 -149.19691 607.64798
7140.0000 -154.35101 -149.44248 4.90853 2.12477 -149.61564 579.47247
7145.0000 -153.14318 -147.63730 5.50588 2.18888 -148.61142 621.71019
7150.0000 -153.54896 -148.46438 5.08458 2.21374 -148.22192 633.36191
7155.0000 -154.03112 -149.43188 4.59923 2.19236 -148.55684 595.50951
7160.0000 -153.88793 -149.56486 4.32307 2.13850 -149.40063 569.25710
7165.0000 -153.61097 -149.02366 4.58731 2.14521 -149.29556 554.80587
7170.0000 -154.19353 -149.17897 5.01456 2.13304 -149.48618 573.40048
7175.0000 -154.82823 -150.21573 4.61251 2.08682 -150.21010 546.47206
7180.0000 -154.68605 -149.36405 5.32200 2.10720 -149.89089 567.21131
7185.0000 -155.43271 -151.31293 4.11978 2.08062 -150.30724 551.97945
7190.0000 -155.48556 -151.04504 4.44052 2.03334 -151.04798 502.98865
7195.0000 -154.60965 -149.75736 4.85230 2.10592 -149.91102 581.55331
7200.0000 -154.86836 -149.76380 5.10456 2.11232 -149.81065 565.47431
7205.0000 -154.17698 -148.76998 5.40700 2.15034 -149.21512 601.27800
7210.0000 -153.78469 -149.87705 3.90764 2.13607 -149.43871 574.50743
7215.0000 -152.93256 -147.82176 5.11080 2.18867 -148.61476 618.44669
7220.0000 -153.62859 -147.87882 5.74977 2.23588 -147.87509 641.24698
7225.0000 -154.09694 -148.94884 5.14809 2.19300 -148.54693 600.87931
7230.0000 -153.69909 -148.98375 4.71535 2.14790 -149.25340 577.21189
7235.0000 -155.04519 -149.90302 5.14217 2.11050 -149.83914 541.93232
7240.0000 -155.53720 -150.84752 4.68968 2.06165 -150.60447 522.69584
7245.0000 -154.61838 -149.80469 4.81368 2.09160 -150.13528 572.32283
7250.0000 -154.62495 -150.18872 4.43623 2.10727 -149.88976 590.26493
FREEZING PROCESS: loop number 30 T-loop= 550.00000000000000
main_MD> interactions number 30 at Temperature= 550.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.11354 -0.41791 -2.53145
force_rgl> df(natom) -2.14003 3.49785 -2.09575
7255.0000 -154.91801 -150.34235 4.57567 2.07277 -150.43017 560.38101
7260.0000 -154.05731 -149.28020 4.77711 2.07963 -150.32281 547.50033
7265.0000 -154.09870 -150.11434 3.98436 2.09835 -150.02947 553.38112
7270.0000 -155.40958 -150.76408 4.64550 2.10594 -149.91058 564.32829
7275.0000 -155.96420 -151.77320 4.19100 2.01236 -151.37665 507.18567
7280.0000 -155.76960 -150.94223 4.82737 2.03995 -150.94437 537.26459
7285.0000 -155.90092 -150.84756 5.05336 2.04119 -150.92488 514.59268
7290.0000 -156.24177 -152.28415 3.95762 2.01356 -151.35783 531.92290
7295.0000 -155.27844 -150.13706 5.14138 2.03410 -151.03607 567.55455
7300.0000 -155.32456 -150.96290 4.36165 2.04055 -150.93490 558.70087
7305.0000 -154.44712 -150.81592 3.63120 2.06676 -150.52447 545.02997
7310.0000 -153.87849 -149.88545 3.99303 2.05101 -150.77110 502.32249
7315.0000 -153.51687 -148.76194 4.75493 2.12823 -149.56153 567.77619
7320.0000 -153.43297 -148.05919 5.37378 2.20018 -148.43434 619.31127
7325.0000 -153.83946 -148.40512 5.43434 2.18542 -148.66554 595.53853
7330.0000 -153.58841 -149.56736 4.02105 2.15128 -149.20040 585.46483
7335.0000 -153.64037 -150.29097 3.34939 2.09409 -150.09632 513.74693
7340.0000 -154.82562 -150.54826 4.27736 2.09362 -150.10367 541.30527
7345.0000 -154.24421 -150.00168 4.24253 2.06874 -150.49344 520.10383
7350.0000 -154.48041 -150.21338 4.26703 2.11225 -149.81187 557.73966
7355.0000 -154.46100 -150.25586 4.20513 2.10168 -149.97733 552.05199
7360.0000 -153.49846 -149.63118 3.86728 2.08340 -150.26370 550.65402
7365.0000 -154.94823 -150.91378 4.03445 2.07042 -150.46702 546.36004
7370.0000 -154.79172 -151.45661 3.33511 2.02420 -151.19113 505.11657
7375.0000 -154.87191 -150.27818 4.59373 2.02166 -151.23090 512.55032
7380.0000 -155.68965 -151.57834 4.11131 2.04486 -150.86742 531.60710
7385.0000 -154.99562 -151.55441 3.44122 1.99835 -151.59605 518.57696
7390.0000 -154.64687 -149.72009 4.92677 2.05356 -150.73117 533.37361
7395.0000 -154.87389 -149.88279 4.99110 2.10144 -149.98117 566.60403
7400.0000 -153.91308 -149.33326 4.57982 2.11642 -149.74647 564.72916
7405.0000 -154.12777 -149.63192 4.49585 2.13398 -149.47141 582.64109
7410.0000 -154.34876 -149.39725 4.95150 2.08649 -150.21527 534.33737
7415.0000 -155.38859 -151.07058 4.31802 2.06754 -150.51213 528.82349
7420.0000 -155.90349 -151.43094 4.47255 2.00835 -151.43937 503.84049
7425.0000 -155.52455 -151.67899 3.84556 2.00325 -151.51928 515.64519
7430.0000 -155.39775 -150.94351 4.45425 2.01644 -151.31267 546.24549
7435.0000 -155.12408 -150.04882 5.07527 2.06802 -150.50461 568.94849
7440.0000 -154.88536 -150.69911 4.18624 2.06957 -150.48037 579.04234
7445.0000 -154.29336 -149.89847 4.39489 2.08378 -150.25777 570.51810
7450.0000 -154.66671 -149.98153 4.68518 2.12756 -149.57200 574.50733
7455.0000 -153.19637 -148.82821 4.36816 2.12573 -149.60068 555.32111
7460.0000 -154.48800 -149.79299 4.69502 2.12811 -149.56342 587.78850
7465.0000 -154.25543 -149.63608 4.61935 2.12235 -149.65357 559.29607
7470.0000 -154.70219 -149.97893 4.72326 2.11817 -149.71907 555.49356
7475.0000 -155.01749 -150.20189 4.81560 2.08357 -150.26102 532.99849
7480.0000 -154.63877 -150.66904 3.96973 2.08590 -150.22458 551.54930
7485.0000 -154.60949 -150.56871 4.04078 2.07706 -150.36302 524.38815
7490.0000 -154.54533 -149.64638 4.89895 2.10682 -149.89682 568.31861
7495.0000 -154.21701 -149.56494 4.65207 2.08341 -150.26362 544.65474
7500.0000 -153.98934 -148.98735 5.00199 2.13002 -149.53350 581.82593
FREEZING PROCESS: loop number 31 T-loop= 525.00000000000000
main_MD> interactions number 31 at Temperature= 525.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.51849 1.86897 1.49022
force_rgl> df(natom) 1.36401 0.75927 2.14735
7505.0000 -154.96900 -149.95791 5.01109 2.14965 -149.22589 563.92853
7510.0000 -154.07072 -150.12131 3.94941 2.10789 -149.88002 531.81136
7515.0000 -154.01908 -150.22054 3.79853 2.08026 -150.31296 502.88817
7520.0000 -154.62771 -150.34142 4.28628 2.08922 -150.17256 503.75977
7525.0000 -154.24636 -150.92680 3.31957 2.08004 -150.31630 511.00056
7530.0000 -155.02732 -150.24355 4.78377 2.06098 -150.61489 520.45708
7535.0000 -154.54195 -150.09790 4.44404 2.07917 -150.33001 511.56429
7540.0000 -155.87754 -151.36574 4.51180 2.06376 -150.57136 528.54335
7545.0000 -154.41499 -150.17239 4.24260 2.05829 -150.65714 519.80787
7550.0000 -154.48735 -149.50464 4.98271 2.10170 -149.97708 526.98554
7555.0000 -154.20341 -149.69657 4.50684 2.12493 -149.61310 571.99151
7560.0000 -153.28900 -149.43441 3.85459 2.13201 -149.50226 584.00262
7565.0000 -153.92486 -149.56689 4.35797 2.14616 -149.28062 571.35394
7570.0000 -153.81915 -149.73006 4.08909 2.10083 -149.99066 525.74267
7575.0000 -153.96477 -149.81185 4.15292 2.06774 -150.50898 506.64922
7580.0000 -154.79300 -150.08786 4.70515 2.11252 -149.80761 569.46419
7585.0000 -155.40756 -150.91879 4.48876 2.06452 -150.55942 548.12539
7590.0000 -154.57580 -150.81910 3.75670 2.01891 -151.27394 509.09237
7595.0000 -154.20843 -148.82157 5.38686 2.14136 -149.35587 597.55103
7600.0000 -153.11745 -149.84202 3.27544 2.12891 -149.55077 565.05577
7605.0000 -155.42644 -151.15923 4.26721 2.04575 -150.85348 529.62123
7610.0000 -155.52605 -150.69830 4.82774 2.05388 -150.72617 551.21456
7615.0000 -155.16066 -151.17339 3.98727 1.99198 -151.69576 485.70136
7620.0000 -155.66063 -151.25323 4.40740 2.03607 -151.00508 553.60011
7625.0000 -155.60368 -151.77284 3.83084 2.02829 -151.12699 545.90967
7630.0000 -156.05660 -151.63855 4.41805 1.98916 -151.74002 523.94094
7635.0000 -155.48790 -151.23249 4.25541 2.01034 -151.40824 526.01791
7640.0000 -155.71549 -151.65340 4.06209 2.00951 -151.42127 534.40698
7645.0000 -156.24010 -152.71779 3.52231 1.97863 -151.90495 507.97762
7650.0000 -155.87411 -151.87965 3.99447 1.98263 -151.84235 517.48026
7655.0000 -155.75876 -152.05496 3.70380 1.96973 -152.04435 495.29839
7660.0000 -154.97218 -151.48249 3.48968 1.98867 -151.74770 504.75449
7665.0000 -156.04007 -151.80117 4.23890 2.04337 -150.89082 520.93714
7670.0000 -155.92664 -151.86099 4.06564 1.97764 -151.92053 488.91884
7675.0000 -155.78095 -152.20081 3.58014 1.97297 -151.99363 499.68871
7680.0000 -155.50500 -151.46586 4.03914 1.98775 -151.76208 508.53306
7685.0000 -156.17697 -151.39992 4.77706 2.00722 -151.45709 519.48853
7690.0000 -156.44088 -151.71502 4.72586 2.01060 -151.40422 539.04330
7695.0000 -155.75460 -151.36729 4.38730 1.99403 -151.66370 521.64309
7700.0000 -155.69102 -151.85323 3.83779 2.00344 -151.51628 532.82373
7705.0000 -155.80465 -152.00477 3.79988 1.94915 -152.36669 479.09583
7710.0000 -155.07482 -150.80911 4.26571 2.02147 -151.23392 539.29125
7715.0000 -154.86291 -150.50897 4.35394 2.04796 -150.81887 527.58122
7720.0000 -155.04475 -151.26575 3.77900 2.04239 -150.90620 504.00349
7725.0000 -155.88239 -152.12023 3.76216 2.00481 -151.49484 493.14066
7730.0000 -155.53757 -151.97588 3.56169 1.97082 -152.02737 466.89587
7735.0000 -155.20179 -150.74641 4.45538 2.00405 -151.50682 507.22702
7740.0000 -154.92595 -150.39377 4.53219 2.03353 -151.04489 523.57175
7745.0000 -154.52046 -150.25132 4.26913 2.07431 -150.40610 552.37562
7750.0000 -155.45237 -151.48266 3.96971 2.03111 -151.08283 526.52320
FREEZING PROCESS: loop number 32 T-loop= 500.00000000000000
main_MD> interactions number 32 at Temperature= 500.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.01602 0.95908 -2.28619
force_rgl> df(natom) 1.52700 0.31838 -0.30963
7755.0000 -155.20595 -151.16686 4.03908 2.00102 -151.55422 503.14101
7760.0000 -155.50119 -151.83972 3.66148 1.99397 -151.66461 510.79769
7765.0000 -155.28448 -151.40658 3.87790 1.98741 -151.76748 495.29212
7770.0000 -154.36436 -150.85551 3.50886 2.01960 -151.26309 508.49457
7775.0000 -155.77405 -151.54628 4.22778 2.03617 -151.00358 548.63183
7780.0000 -156.56194 -153.05832 3.50362 1.98918 -151.73973 515.77156
7785.0000 -155.30244 -151.98058 3.32187 1.97521 -151.95855 498.44259
7790.0000 -156.21445 -151.48777 4.72668 1.99039 -151.72071 517.94239
7795.0000 -156.73871 -152.77761 3.96111 1.95231 -152.31718 492.81291
7800.0000 -156.48504 -151.97917 4.50587 1.94167 -152.48388 487.03333
7805.0000 -156.35756 -152.91651 3.44104 1.93226 -152.63136 475.30344
7810.0000 -155.34172 -150.88170 4.46002 1.99614 -151.63066 516.08108
7815.0000 -154.76058 -150.62085 4.13973 2.03175 -151.07284 537.35277
7820.0000 -155.34160 -151.52211 3.81950 2.01413 -151.34885 510.14052
7825.0000 -156.59619 -152.69004 3.90614 1.93578 -152.57612 455.33866
7830.0000 -155.45413 -151.42796 4.02617 1.96786 -152.07363 474.67769
7835.0000 -155.47981 -152.11952 3.36029 1.99501 -151.64830 479.30884
7840.0000 -155.16641 -150.89163 4.27478 1.99284 -151.68239 478.07560
7845.0000 -155.29895 -151.81767 3.48127 2.02321 -151.20654 514.68656
7850.0000 -156.84987 -152.90833 3.94154 1.96600 -152.10283 471.85024
7855.0000 -156.11916 -152.13338 3.98578 1.93857 -152.53243 453.57481
7860.0000 -156.32418 -152.28308 4.04110 1.98466 -151.81050 500.47184
7865.0000 -156.35024 -152.77763 3.57262 1.93084 -152.65360 477.88648
7870.0000 -155.93066 -151.57112 4.35954 1.95108 -152.33657 486.58488
7875.0000 -155.91554 -151.60031 4.31523 1.99132 -151.70619 526.17465
7880.0000 -154.57594 -151.49969 3.07625 1.98280 -151.83960 492.07980
7885.0000 -155.16787 -150.95777 4.21010 2.01354 -151.35802 493.06469
7890.0000 -155.12424 -150.98784 4.13640 2.03731 -150.98566 501.63677
7895.0000 -155.51697 -152.15331 3.36366 2.02042 -151.25032 515.83518
7900.0000 -155.56791 -151.38297 4.18493 1.98636 -151.78388 494.30897
7905.0000 -156.16387 -151.36447 4.79940 2.02006 -151.25589 508.75121
7910.0000 -155.85111 -151.34066 4.51046 2.02188 -151.22738 529.37826
7915.0000 -155.00519 -151.43846 3.56673 1.98108 -151.86663 494.33039
7920.0000 -155.27968 -151.43058 3.84910 2.01762 -151.29424 527.12689
7925.0000 -156.36216 -152.20849 4.15367 2.00826 -151.44079 516.20860
7930.0000 -156.83412 -152.71098 4.12315 1.96710 -152.08557 492.87310
7935.0000 -156.36770 -152.21088 4.15682 1.94073 -152.49863 462.97868
7940.0000 -156.06558 -152.13650 3.92908 1.97305 -151.99232 498.87273
7945.0000 -156.05941 -152.72432 3.33509 1.95768 -152.23309 467.73771
7950.0000 -156.27822 -152.21007 4.06816 1.96462 -152.12443 473.78231
7955.0000 -156.17444 -152.77718 3.39726 1.94365 -152.45293 444.53880
7960.0000 -155.78430 -152.12627 3.65802 1.95740 -152.23752 482.06143
7965.0000 -154.72902 -151.36128 3.36774 2.00757 -151.45156 513.47044
7970.0000 -155.08932 -152.05156 3.03777 1.99882 -151.58860 469.55006
7975.0000 -155.61589 -151.48707 4.12883 1.97884 -151.90162 455.16817
7980.0000 -154.77458 -150.56008 4.21450 2.02747 -151.13981 485.61566
7985.0000 -155.74084 -151.60580 4.13504 2.02271 -151.21441 497.62193
7990.0000 -154.85925 -150.58908 4.27018 2.04727 -150.82976 507.86063
7995.0000 -155.61905 -151.98529 3.63375 2.02928 -151.11149 495.17800
8000.0000 -155.00243 -151.40172 3.60070 1.99793 -151.60260 467.62020
FREEZING PROCESS: loop number 33 T-loop= 475.00000000000000
main_MD> interactions number 33 at Temperature= 475.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.62742 -2.19885 0.85506
force_rgl> df(natom) 2.40211 -0.65702 2.01882
8005.0000 -156.37583 -153.19718 3.17865 1.94364 -152.45302 436.38462
8010.0000 -156.03087 -152.33021 3.70065 1.93907 -152.52472 449.93036
8015.0000 -156.27126 -153.13991 3.13136 1.91037 -152.97427 432.09571
8020.0000 -156.33194 -152.57203 3.75992 1.91611 -152.88429 438.53886
8025.0000 -156.19284 -152.53742 3.65542 1.95911 -152.21070 496.86558
8030.0000 -156.63685 -153.09285 3.54401 1.92289 -152.77804 465.32355
8035.0000 -156.79962 -153.23556 3.56407 1.89391 -153.23209 437.42189
8040.0000 -156.03340 -152.05816 3.97524 1.91523 -152.89803 452.53136
8045.0000 -156.67708 -153.12556 3.55152 1.93248 -152.62782 471.35594
8050.0000 -155.67794 -151.62633 4.05160 1.95559 -152.26582 498.43049
8055.0000 -155.63091 -151.69575 3.93515 1.99991 -151.57164 529.67567
8060.0000 -156.05346 -152.76609 3.28736 1.96064 -152.18679 475.82313
8065.0000 -156.91347 -152.98723 3.92624 1.92986 -152.66894 469.30484
8070.0000 -156.28998 -152.74003 3.54995 1.92488 -152.74701 471.34613
8075.0000 -156.80825 -153.39574 3.41251 1.90137 -153.11528 441.52175
8080.0000 -156.56245 -152.55172 4.01074 1.90534 -153.05297 455.56435
8085.0000 -156.13428 -152.42315 3.71113 1.93797 -152.54192 461.32586
8090.0000 -155.78811 -151.58440 4.20371 1.96962 -152.04604 483.45643
8095.0000 -156.88807 -153.39957 3.48850 1.95188 -152.32397 489.24180
8100.0000 -157.05978 -153.57240 3.48738 1.88971 -153.29781 442.40869
8105.0000 -156.09623 -153.12540 2.97083 1.87334 -153.55432 417.02994
8110.0000 -156.38926 -152.17508 4.21418 1.89919 -153.14929 431.19543
8115.0000 -156.05050 -152.16828 3.88222 1.94926 -152.36499 481.58203
8120.0000 -155.30516 -152.10776 3.19740 1.98710 -151.77219 491.96586
8125.0000 -155.73501 -152.20014 3.53487 1.95127 -152.33356 463.40556
8130.0000 -155.95004 -152.25034 3.69970 1.94422 -152.44399 460.48231
8135.0000 -156.06838 -151.83851 4.22987 1.97112 -152.02258 479.69241
8140.0000 -156.51598 -152.00736 4.50862 1.96596 -152.10341 489.33147
8145.0000 -155.07437 -151.70138 3.37300 2.00985 -151.41584 504.37649
8150.0000 -155.36016 -150.52004 4.84013 2.02535 -151.17308 521.08636
8155.0000 -155.21860 -150.65995 4.55865 2.06669 -150.52543 555.34409
8160.0000 -155.35481 -151.45018 3.90463 2.03948 -150.95178 536.49525
8165.0000 -154.60252 -150.76920 3.83332 2.05908 -150.64478 540.65316
8170.0000 -154.98245 -150.44452 4.53793 2.01511 -151.33354 486.32965
8175.0000 -155.03085 -151.07146 3.95939 2.03241 -151.06247 514.64950
8180.0000 -156.30047 -152.21958 4.08089 1.99671 -151.62170 483.83546
8185.0000 -155.79874 -151.60187 4.19687 1.97798 -151.91516 481.73509
8190.0000 -155.65430 -152.53077 3.12353 1.96461 -152.12455 449.62695
8195.0000 -156.72036 -152.71359 4.00677 1.95004 -152.35280 444.83046
8200.0000 -156.27645 -152.51628 3.76017 1.93754 -152.54856 457.90923
8205.0000 -156.18607 -152.48998 3.69609 1.93803 -152.54096 459.97148
8210.0000 -156.54176 -152.26474 4.27702 1.96344 -152.14289 477.67160
8215.0000 -155.52087 -152.05000 3.47087 1.97567 -151.95126 491.66950
8220.0000 -156.05021 -152.56860 3.48161 1.94296 -152.46365 438.55645
8225.0000 -156.12695 -152.27329 3.85367 1.95934 -152.20708 455.47162
8230.0000 -156.10966 -151.69293 4.41672 1.96918 -152.05304 467.05496
8235.0000 -156.36143 -152.77556 3.58588 1.97336 -151.98753 467.77597
8240.0000 -155.75496 -152.61875 3.13621 1.94335 -152.45761 457.83168
8245.0000 -156.10754 -152.29180 3.81573 1.94879 -152.37233 457.88458
8250.0000 -155.31484 -151.77940 3.53544 1.97386 -151.97960 476.84513
FREEZING PROCESS: loop number 34 T-loop= 450.00000000000000
main_MD> interactions number 34 at Temperature= 450.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.31446 -2.92593 -2.46049
force_rgl> df(natom) -1.46413 -0.37330 1.40041
8255.0000 -155.36190 -151.70589 3.65601 1.95730 -152.23915 462.56212
8260.0000 -156.17501 -152.27130 3.90371 1.97183 -152.01150 474.43580
8265.0000 -156.41597 -152.27771 4.13826 1.94942 -152.36249 464.93570
8270.0000 -156.61744 -153.20260 3.41485 1.93589 -152.57444 458.67822
8275.0000 -157.00844 -152.93763 4.07081 1.93278 -152.62318 475.87018
8280.0000 -156.05955 -151.72547 4.33409 1.93218 -152.63253 473.67605
8285.0000 -156.04921 -152.23173 3.81747 1.98637 -151.78373 518.33332
8290.0000 -156.48914 -152.91468 3.57446 1.95148 -152.33018 473.56538
8295.0000 -156.13652 -153.18066 2.95585 1.90530 -153.05372 434.14202
8300.0000 -156.82934 -152.90815 3.92119 1.90013 -153.13458 453.40835
8305.0000 -156.85549 -153.29285 3.56265 1.88870 -153.31373 439.39889
8310.0000 -155.88940 -152.33842 3.55098 1.90768 -153.01632 442.51589
8315.0000 -156.54706 -152.92903 3.61803 1.95267 -152.31159 464.93310
8320.0000 -156.42178 -152.84583 3.57595 1.96035 -152.19125 468.18656
8325.0000 -155.81390 -151.66150 4.15239 1.95395 -152.29160 469.28441
8330.0000 -155.62260 -151.87836 3.74425 1.97413 -151.97548 477.64964
8335.0000 -156.24906 -151.58237 4.66669 1.98274 -151.84059 492.06197
8340.0000 -156.20231 -151.85235 4.34996 1.98579 -151.79271 490.05340
8345.0000 -155.93282 -152.60287 3.32996 1.97579 -151.94947 489.87753
8350.0000 -156.66507 -152.76340 3.90167 1.93263 -152.62550 452.11465
8355.0000 -156.66501 -152.60592 4.05909 1.94329 -152.45855 483.84165
8360.0000 -157.44644 -153.94421 3.50222 1.87401 -153.54380 418.09378
8365.0000 -157.45633 -154.33858 3.11775 1.85516 -153.83915 408.05288
8370.0000 -156.74379 -153.45947 3.28432 1.86302 -153.71599 408.99606
8375.0000 -156.55886 -153.62634 2.93252 1.87003 -153.60609 417.79294
8380.0000 -156.83807 -153.62313 3.21495 1.86623 -153.66564 410.52372
8385.0000 -156.45483 -153.34507 3.10976 1.85768 -153.79959 403.74699
8390.0000 -156.66643 -153.26982 3.39661 1.89920 -153.14927 436.50598
8395.0000 -156.69284 -152.38437 4.30847 1.94387 -152.44942 465.07492
8400.0000 -156.01393 -152.13583 3.87809 1.95277 -152.31002 489.69649
8405.0000 -156.72671 -153.46457 3.26214 1.94335 -152.45759 458.66531
8410.0000 -156.23929 -152.58818 3.65112 1.93751 -152.54903 464.88904
8415.0000 -156.79553 -153.69106 3.10448 1.88241 -153.41226 427.15939
8420.0000 -156.17387 -152.50276 3.67111 1.90623 -153.03908 450.98917
8425.0000 -156.13173 -152.18967 3.94206 1.94447 -152.44007 482.76116
8430.0000 -155.94851 -152.26646 3.68205 1.98920 -151.73937 513.72465
8435.0000 -155.18292 -152.20679 2.97613 1.93238 -152.62944 442.81418
8440.0000 -156.02484 -152.09215 3.93269 1.95624 -152.25570 454.10345
8445.0000 -155.80042 -152.09090 3.70951 1.97841 -151.90833 483.42540
8450.0000 -155.83347 -151.82014 4.01334 1.97483 -151.96452 477.29265
8455.0000 -156.29923 -152.59561 3.70362 1.95911 -152.21078 471.51832
8460.0000 -156.63492 -153.16061 3.47431 1.94497 -152.43222 455.64681
8465.0000 -156.82697 -153.44862 3.37836 1.89839 -153.16188 415.76617
8470.0000 -156.36460 -152.82973 3.53487 1.92561 -152.73552 434.67362
8475.0000 -156.28335 -152.56554 3.71780 1.91525 -152.89780 428.16788
8480.0000 -155.79793 -152.26859 3.52934 1.92854 -152.68963 443.69354
8485.0000 -155.90064 -152.14249 3.75815 1.96769 -152.07631 465.51920
8490.0000 -155.59506 -152.00469 3.59038 1.97764 -151.92048 477.38343
8495.0000 -155.50266 -151.71607 3.78659 1.97828 -151.91040 462.80219
8500.0000 -155.94901 -152.85631 3.09270 1.94844 -152.37795 451.48305
FREEZING PROCESS: loop number 35 T-loop= 425.00000000000000
main_MD> interactions number 35 at Temperature= 425.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.18852 -3.48421 0.52618
force_rgl> df(natom) -0.69110 0.73744 -0.59810
8505.0000 -156.21881 -152.57237 3.64644 1.92942 -152.67584 444.60226
8510.0000 -157.07217 -153.60095 3.47122 1.91266 -152.93841 437.72076
8515.0000 -157.64453 -154.56260 3.08194 1.83621 -154.13588 390.41634
8520.0000 -156.81416 -153.94451 2.86965 1.80802 -154.57753 362.50815
8525.0000 -156.31854 -152.77325 3.54529 1.88775 -153.32861 433.89963
8530.0000 -157.46301 -153.92843 3.53458 1.87832 -153.47623 429.01920
8535.0000 -157.04446 -153.78368 3.26078 1.86667 -153.65879 418.20475
8540.0000 -156.99769 -153.96145 3.03624 1.84451 -154.00590 395.32187
8545.0000 -157.05820 -153.63890 3.41931 1.86379 -153.70394 417.00891
8550.0000 -156.94203 -153.69434 3.24769 1.86772 -153.64237 422.85991
8555.0000 -157.05407 -153.37795 3.67612 1.86973 -153.61090 425.60236
8560.0000 -157.23534 -153.95421 3.28114 1.86545 -153.67782 418.89721
8565.0000 -157.29243 -154.70819 2.58424 1.83859 -154.09872 396.84459
8570.0000 -157.62623 -154.32281 3.30342 1.82632 -154.29083 383.68752
8575.0000 -157.37403 -154.42338 2.95064 1.82919 -154.24594 386.74466
8580.0000 -157.21836 -153.81150 3.40686 1.84153 -154.05267 394.84359
8585.0000 -156.78084 -152.93909 3.84175 1.88850 -153.31679 442.70291
8590.0000 -156.88387 -153.23631 3.64756 1.90878 -152.99907 457.65666
8595.0000 -157.06891 -153.56785 3.50107 1.88393 -153.38837 432.57182
8600.0000 -156.93154 -153.65974 3.27180 1.85568 -153.83090 402.85399
8605.0000 -156.76815 -153.39954 3.36861 1.87211 -153.57352 422.95049
8610.0000 -157.41281 -153.63602 3.77679 1.85568 -153.83089 407.99597
8615.0000 -157.31546 -154.16543 3.15003 1.86965 -153.61206 415.11269
8620.0000 -157.09173 -153.90100 3.19073 1.82867 -154.25411 385.80129
8625.0000 -157.03264 -154.06382 2.96883 1.85690 -153.81181 410.45483
8630.0000 -157.09456 -153.79543 3.29912 1.86490 -153.68659 421.01563
8635.0000 -156.72721 -153.62038 3.10683 1.89252 -153.25392 437.89902
8640.0000 -157.48468 -154.12713 3.35755 1.86266 -153.72161 407.27514
8645.0000 -157.01635 -153.70524 3.31111 1.84995 -153.92069 404.28284
8650.0000 -157.04360 -153.64626 3.39734 1.84014 -154.07436 396.78748
8655.0000 -157.20679 -153.88627 3.32052 1.87269 -153.56448 420.98920
8660.0000 -156.53940 -152.80654 3.73286 1.86562 -153.67523 411.22952
8665.0000 -156.42174 -152.55662 3.86512 1.94008 -152.50878 467.64044
8670.0000 -156.60883 -153.13374 3.47509 1.92647 -152.72208 444.35155
8675.0000 -156.71001 -152.66563 4.04439 1.90062 -153.12699 414.83912
8680.0000 -156.52798 -153.27263 3.25535 1.90886 -152.99793 424.97406
8685.0000 -156.18907 -152.55119 3.63788 1.91611 -152.88427 429.16026
8690.0000 -156.49644 -153.07380 3.42265 1.92785 -152.70041 445.90820
8695.0000 -156.83999 -153.16032 3.67968 1.91301 -152.93287 437.23043
8700.0000 -156.82112 -153.04928 3.77184 1.90543 -153.05159 437.66413
8705.0000 -157.01723 -154.35958 2.65765 1.85136 -153.89866 385.54767
8710.0000 -157.48809 -154.31196 3.17613 1.82868 -154.25387 368.19929
8715.0000 -157.23970 -154.06758 3.17212 1.82897 -154.24933 362.86566
8720.0000 -156.27571 -153.07436 3.20135 1.87176 -153.57909 389.84203
8725.0000 -157.09785 -153.39869 3.69916 1.89890 -153.15389 424.10667
8730.0000 -157.50950 -154.74892 2.76058 1.85445 -153.85018 380.22682
8735.0000 -156.53229 -153.36342 3.16887 1.84676 -153.97062 376.28442
8740.0000 -156.79433 -153.14170 3.65263 1.91586 -152.88818 430.74120
8745.0000 -156.40355 -153.08922 3.31433 1.90481 -153.06130 418.58752
8750.0000 -156.74136 -152.88119 3.86017 1.92621 -152.72603 457.25620
FREEZING PROCESS: loop number 36 T-loop= 400.00000000000000
main_MD> interactions number 36 at Temperature= 400.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.60284 -0.68317 -0.95182
force_rgl> df(natom) -0.90591 2.03893 2.27064
8755.0000 -156.94210 -153.16837 3.77374 1.89666 -153.18903 433.62885
8760.0000 -156.93102 -154.00591 2.92510 1.87032 -153.60157 412.75149
8765.0000 -157.06644 -154.26808 2.79836 1.83609 -154.13781 379.63492
8770.0000 -157.20088 -153.75271 3.44817 1.84848 -153.94380 384.83147
8775.0000 -156.63306 -153.36903 3.26403 1.84852 -153.94311 382.20019
8780.0000 -157.02933 -153.80847 3.22086 1.86534 -153.67961 399.50527
8785.0000 -156.46017 -153.34846 3.11171 1.85884 -153.78150 391.66292
8790.0000 -157.42523 -153.64511 3.78013 1.86474 -153.68897 402.41745
8795.0000 -156.93961 -153.83353 3.10608 1.88510 -153.37009 416.04281
8800.0000 -157.26552 -153.95652 3.30900 1.86715 -153.65128 398.63535
8805.0000 -156.91452 -153.67958 3.23494 1.86127 -153.74337 395.85121
8810.0000 -156.84409 -153.59268 3.25141 1.86554 -153.67651 394.42296
8815.0000 -156.44335 -153.77078 2.67258 1.88482 -153.37451 410.18599
8820.0000 -157.11900 -153.62704 3.49196 1.88443 -153.38055 407.74013
8825.0000 -156.63201 -153.85327 2.77873 1.85484 -153.84417 374.83501
8830.0000 -156.82838 -153.88202 2.94635 1.84901 -153.93541 371.37983
8835.0000 -157.46143 -153.70012 3.76131 1.85530 -153.83693 403.95325
8840.0000 -156.52586 -153.44752 3.07834 1.89325 -153.24234 441.08930
8845.0000 -156.23241 -152.87552 3.35689 1.86373 -153.70479 396.12431
8850.0000 -157.15441 -153.53425 3.62016 1.90349 -153.08204 440.63950
8855.0000 -157.29969 -153.98725 3.31245 1.85474 -153.84574 403.80464
8860.0000 -156.76528 -153.50303 3.26225 1.87539 -153.52216 426.52984
8865.0000 -157.24959 -153.61380 3.63579 1.84228 -154.04084 397.01890
8870.0000 -157.33311 -154.16486 3.16825 1.84679 -153.97020 392.72865
8875.0000 -156.77632 -153.25662 3.51970 1.87206 -153.57435 418.11370
8880.0000 -156.94904 -154.04528 2.90377 1.87413 -153.54186 411.98697
8885.0000 -157.25030 -154.27708 2.97322 1.83889 -154.09396 389.39782
8890.0000 -157.87848 -154.65372 3.22476 1.80940 -154.55593 364.05881
8895.0000 -157.39511 -154.31691 3.07820 1.79666 -154.75544 351.59113
8900.0000 -157.11537 -154.04459 3.07078 1.83948 -154.08475 386.28257
8905.0000 -157.35739 -154.67143 2.68596 1.79754 -154.74176 352.07666
8910.0000 -156.66262 -153.85853 2.80408 1.83950 -154.08445 388.61618
8915.0000 -157.17769 -153.80897 3.36872 1.87520 -153.52523 418.87968
8920.0000 -157.09523 -153.95941 3.13582 1.85258 -153.87943 404.44402
8925.0000 -157.54987 -153.95889 3.59098 1.86479 -153.68819 413.33024
8930.0000 -157.54071 -154.39962 3.14109 1.81527 -154.46399 368.24775
8935.0000 -157.26243 -154.54194 2.72049 1.81608 -154.45123 365.18576
8940.0000 -157.58928 -155.15832 2.43096 1.81029 -154.54199 358.19962
8945.0000 -157.84439 -154.56463 3.27976 1.79049 -154.85208 340.18984
8950.0000 -157.11119 -153.70755 3.40364 1.84812 -153.94934 388.87648
8955.0000 -156.95120 -153.60170 3.34950 1.87700 -153.49695 423.33931
8960.0000 -156.80756 -154.14655 2.66101 1.84487 -154.00032 395.98459
8965.0000 -157.64001 -154.50463 3.13538 1.81914 -154.40327 367.73424
8970.0000 -157.04449 -154.43438 2.61011 1.82648 -154.28829 382.22368
8975.0000 -157.44939 -154.08576 3.36362 1.81766 -154.42645 376.63425
8980.0000 -156.85768 -154.16480 2.69289 1.83677 -154.12720 383.56819
8985.0000 -157.83062 -154.55951 3.27111 1.82334 -154.33750 376.26131
8990.0000 -156.31705 -153.00301 3.31405 1.85007 -153.91887 402.93636
8995.0000 -156.90006 -153.67495 3.22511 1.87789 -153.48298 424.22848
9000.0000 -157.44095 -153.88793 3.55302 1.88224 -153.41495 435.05605
FREEZING PROCESS: loop number 37 T-loop= 375.00000000000000
main_MD> interactions number 37 at Temperature= 375.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.65969 1.35314 -0.49089
force_rgl> df(natom) 0.51461 -0.81260 -0.23358
9005.0000 -157.25510 -154.37132 2.88378 1.81389 -154.48552 370.87178
9010.0000 -156.78148 -154.10533 2.67615 1.80927 -154.55803 373.52239
9015.0000 -156.64067 -153.30030 3.34037 1.87548 -153.52086 428.79316
9020.0000 -156.57748 -152.90520 3.67228 1.90847 -153.00400 445.36874
9025.0000 -156.91596 -153.91997 2.99599 1.87793 -153.48244 427.41385
9030.0000 -157.19102 -154.24595 2.94507 1.82042 -154.38334 376.16425
9035.0000 -158.07636 -154.20154 3.87483 1.82525 -154.30766 383.67245
9040.0000 -157.32574 -153.74583 3.57991 1.83693 -154.12469 373.31034
9045.0000 -157.14066 -154.03372 3.10694 1.84651 -153.97465 372.62977
9050.0000 -157.29349 -154.28325 3.01024 1.82548 -154.30401 352.77418
9055.0000 -157.49965 -154.44507 3.05458 1.81290 -154.50109 351.25963
9060.0000 -157.07352 -154.25055 2.82297 1.83231 -154.19696 365.94376
9065.0000 -157.29280 -154.41555 2.87725 1.83182 -154.20475 365.77330
9070.0000 -156.70637 -153.87861 2.82777 1.83395 -154.17140 373.63144
9075.0000 -157.06861 -154.39596 2.67264 1.83722 -154.12019 387.68783
9080.0000 -157.32720 -154.83566 2.49153 1.80124 -154.68368 359.95184
9085.0000 -157.78341 -154.90694 2.87647 1.78933 -154.87030 342.71287
9090.0000 -157.60137 -155.36068 2.24069 1.79671 -154.75472 354.77978
9095.0000 -157.85049 -155.44832 2.40217 1.76520 -155.24829 323.45971
9100.0000 -158.09993 -154.86198 3.23794 1.77775 -155.05172 337.08962
9105.0000 -157.70181 -153.97827 3.72354 1.82027 -154.38561 379.49908
9110.0000 -157.94115 -154.80923 3.13192 1.82319 -154.33996 371.26500
9115.0000 -157.80856 -155.10745 2.70111 1.77489 -155.09658 334.01763
9120.0000 -157.11044 -154.06118 3.04926 1.79459 -154.78798 351.56390
9125.0000 -157.21763 -153.26069 3.95695 1.85742 -153.80364 410.44440
9130.0000 -157.39348 -154.34881 3.04467 1.85214 -153.88638 399.88976
9135.0000 -157.85887 -155.20179 2.65708 1.80364 -154.64620 362.39212
9140.0000 -158.35299 -155.07572 3.27727 1.77349 -155.11842 337.11416
9145.0000 -157.70183 -154.97449 2.72734 1.78372 -154.95816 350.34244
9150.0000 -157.34615 -154.12786 3.21829 1.81715 -154.43449 377.44915
9155.0000 -158.12444 -155.02223 3.10221 1.80058 -154.69401 356.09334
9160.0000 -157.50320 -154.44875 3.05445 1.78117 -154.99817 338.64452
9165.0000 -157.17075 -154.03416 3.13659 1.82295 -154.34362 365.96568
9170.0000 -157.40967 -154.55844 2.85123 1.81151 -154.52283 368.40212
9175.0000 -157.58976 -154.39745 3.19231 1.81570 -154.45721 369.46564
9180.0000 -156.61211 -153.69986 2.91225 1.82240 -154.35222 379.06351
9185.0000 -157.09537 -154.54871 2.54666 1.82554 -154.30315 382.61411
9190.0000 -157.87376 -154.61533 3.25843 1.82569 -154.30070 386.30660
9195.0000 -157.32714 -154.12031 3.20683 1.81163 -154.52095 374.40694
9200.0000 -157.18168 -153.40696 3.77472 1.84035 -154.07113 392.37610
9205.0000 -157.44373 -154.25686 3.18687 1.84588 -153.98453 397.64697
9210.0000 -156.74645 -154.25943 2.48702 1.82813 -154.26257 383.60653
9215.0000 -157.69244 -154.90579 2.78665 1.81750 -154.42897 377.30527
9220.0000 -157.58886 -154.58178 3.00708 1.79829 -154.72988 358.03634
9225.0000 -158.00127 -154.52639 3.47488 1.82635 -154.29039 377.73341
9230.0000 -157.34750 -154.00221 3.34529 1.82488 -154.31341 379.78151
9235.0000 -157.18108 -154.22599 2.95509 1.81984 -154.39231 379.79939
9240.0000 -157.65562 -155.02210 2.63352 1.79541 -154.77500 357.62120
9245.0000 -157.90801 -155.73919 2.16882 1.75431 -155.41895 315.82182
9250.0000 -157.29082 -154.92618 2.36464 1.74710 -155.53182 305.24576
FREEZING PROCESS: loop number 38 T-loop= 350.00000000000000
main_MD> interactions number 38 at Temperature= 350.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.10538 -0.58817 -1.30238
force_rgl> df(natom) -2.15490 -0.54712 0.23750
9255.0000 -158.11720 -155.69133 2.42587 1.74816 -155.51530 306.07954
9260.0000 -157.54128 -154.87470 2.66659 1.77462 -155.10069 331.97447
9265.0000 -158.14120 -155.59691 2.54429 1.77136 -155.15186 331.14519
9270.0000 -158.31219 -155.44313 2.86906 1.75710 -155.37513 316.45785
9275.0000 -158.17696 -155.46402 2.71294 1.75910 -155.34383 318.06774
9280.0000 -157.55080 -154.98246 2.56834 1.76209 -155.29709 324.15081
9285.0000 -157.93867 -155.24171 2.69696 1.78327 -154.96525 340.56077
9290.0000 -157.85982 -155.50585 2.35397 1.74352 -155.58790 305.95436
9295.0000 -157.92466 -155.18140 2.74326 1.76917 -155.18612 330.20150
9300.0000 -157.49116 -154.20556 3.28561 1.79736 -154.74447 356.29624
9305.0000 -156.91980 -154.70091 2.21889 1.80447 -154.63307 359.39318
9310.0000 -157.93004 -155.28793 2.64212 1.77955 -155.02346 340.11533
9315.0000 -157.41267 -155.15163 2.26105 1.76654 -155.22735 328.22883
9320.0000 -158.20718 -155.42900 2.77818 1.76021 -155.32650 319.89126
9325.0000 -157.26735 -154.24745 3.01991 1.76613 -155.23382 327.32784
9330.0000 -157.31474 -153.96592 3.34881 1.82094 -154.37516 373.95297
9335.0000 -157.30983 -153.77780 3.53203 1.83616 -154.13675 386.22100
9340.0000 -158.00759 -154.77810 3.22949 1.82449 -154.31947 376.51215
9345.0000 -157.79335 -155.31897 2.47438 1.79824 -154.73074 353.96317
9350.0000 -157.64776 -154.41425 3.23351 1.78228 -154.98080 340.87838
9355.0000 -156.42968 -153.73155 2.69812 1.81489 -154.46994 373.09357
9360.0000 -157.35909 -154.30361 3.05549 1.83899 -154.09241 383.25307
9365.0000 -157.59758 -155.14150 2.45607 1.80411 -154.63877 361.33275
9370.0000 -157.00042 -154.50723 2.49319 1.77740 -155.05715 335.38089
9375.0000 -157.58830 -154.86628 2.72202 1.79387 -154.79925 350.02048
9380.0000 -157.82370 -154.56616 3.25754 1.79644 -154.75900 351.08653
9385.0000 -157.80664 -154.94812 2.85852 1.79568 -154.77078 355.55766
9390.0000 -157.85193 -155.41975 2.43218 1.78593 -154.92351 343.28485
9395.0000 -157.67671 -155.04528 2.63143 1.76709 -155.21875 324.73635
9400.0000 -157.58782 -155.07441 2.51341 1.77197 -155.14232 331.67379
9405.0000 -157.55738 -154.76762 2.78977 1.78821 -154.88785 347.95474
9410.0000 -157.24483 -154.21865 3.02618 1.81505 -154.46742 374.68299
9415.0000 -157.75342 -154.93754 2.81588 1.79553 -154.77322 351.06267
9420.0000 -157.41746 -154.36282 3.05464 1.78402 -154.95349 347.49396
9425.0000 -157.54269 -155.06383 2.47886 1.79188 -154.83037 352.16021
9430.0000 -157.80475 -154.81802 2.98672 1.78880 -154.87858 348.58884
9435.0000 -157.56199 -154.76109 2.80090 1.79645 -154.75878 355.19405
9440.0000 -158.30150 -155.25078 3.05072 1.79930 -154.71413 351.83715
9445.0000 -157.37623 -154.96758 2.40866 1.77423 -155.10687 333.70992
9450.0000 -157.98391 -154.96657 3.01735 1.78426 -154.94979 335.78820
9455.0000 -157.25837 -154.34734 2.91103 1.80079 -154.69075 354.92633
9460.0000 -157.61112 -155.21124 2.39988 1.78272 -154.97388 335.34303
9465.0000 -157.27224 -154.14527 3.12697 1.78581 -154.92553 329.95814
9470.0000 -157.72599 -155.01195 2.71404 1.79659 -154.75666 343.56169
9475.0000 -157.46887 -154.93289 2.53598 1.78463 -154.94397 342.55615
9480.0000 -158.12650 -155.28953 2.83697 1.77872 -155.03657 334.00525
9485.0000 -157.90748 -155.31149 2.59599 1.76089 -155.31578 319.82000
9490.0000 -158.03829 -155.52710 2.51119 1.77194 -155.14265 328.84587
9495.0000 -157.59805 -154.76279 2.83526 1.78613 -154.92051 343.11662
9500.0000 -158.00167 -155.02696 2.97472 1.79091 -154.84563 351.92384
FREEZING PROCESS: loop number 39 T-loop= 325.00000000000000
main_MD> interactions number 39 at Temperature= 325.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.41911 -0.96481 0.60820
force_rgl> df(natom) -0.35508 -0.29743 0.38841
9505.0000 -158.14499 -155.54354 2.60145 1.76684 -155.22256 328.04379
9510.0000 -157.72137 -155.75025 1.97113 1.75518 -155.40526 312.77923
9515.0000 -157.96027 -155.09930 2.86097 1.74195 -155.61249 300.60607
9520.0000 -158.25557 -155.66515 2.59041 1.75665 -155.38228 323.35072
9525.0000 -158.63997 -155.89742 2.74255 1.74850 -155.50995 314.07805
9530.0000 -157.82894 -155.52188 2.30705 1.73303 -155.75228 295.39620
9535.0000 -157.49792 -155.51457 1.98335 1.76336 -155.27708 324.67141
9540.0000 -157.94473 -155.38983 2.55490 1.78752 -154.89862 350.95167
9545.0000 -157.34787 -154.88461 2.46326 1.78766 -154.89653 353.77748
9550.0000 -157.93576 -155.21400 2.72176 1.77295 -155.12691 337.20571
9555.0000 -157.88394 -155.32106 2.56288 1.75538 -155.40212 322.44254
9560.0000 -158.02210 -155.88617 2.13593 1.75394 -155.42470 323.88458
9565.0000 -157.51121 -155.00389 2.50733 1.74142 -155.62088 308.58221
9570.0000 -158.02855 -155.33511 2.69344 1.77103 -155.15699 338.34349
9575.0000 -157.65262 -155.06904 2.58358 1.78286 -154.97171 349.36321
9580.0000 -158.09381 -155.42205 2.67176 1.78124 -154.99705 348.15254
9585.0000 -157.83545 -155.59594 2.23951 1.76167 -155.30368 329.79653
9590.0000 -157.88624 -155.11981 2.76643 1.75310 -155.43779 323.98646
9595.0000 -157.97634 -155.32138 2.65496 1.76167 -155.30356 326.12214
9600.0000 -157.89376 -154.95993 2.93383 1.77349 -155.11841 340.41160
9605.0000 -157.79473 -155.35431 2.44042 1.77826 -155.04371 341.39871
9610.0000 -157.42110 -155.07037 2.35073 1.75100 -155.47067 326.00061
9615.0000 -158.12251 -155.48155 2.64096 1.76063 -155.31986 330.54209
9620.0000 -157.81912 -155.34357 2.47554 1.75914 -155.34323 329.66091
9625.0000 -157.99252 -155.59911 2.39341 1.77234 -155.13640 340.72412
9630.0000 -157.98834 -155.06650 2.92184 1.75838 -155.35520 327.94023
9635.0000 -157.89318 -155.35737 2.53581 1.75721 -155.37349 333.11902
9640.0000 -158.07086 -155.93821 2.13266 1.73633 -155.70051 307.60035
9645.0000 -157.66246 -155.13175 2.53071 1.75696 -155.37735 328.35724
9650.0000 -157.92082 -155.10146 2.81936 1.78955 -154.86679 353.29542
9655.0000 -158.27226 -155.48574 2.78652 1.77034 -155.16777 339.13554
9660.0000 -157.76278 -155.29170 2.47108 1.75449 -155.41609 327.27587
9665.0000 -158.42398 -156.08317 2.34081 1.76190 -155.29996 336.33640
9670.0000 -157.72696 -155.35012 2.37684 1.72625 -155.85842 298.94741
9675.0000 -158.43362 -155.59720 2.83642 1.75998 -155.33014 330.25443
9680.0000 -157.78852 -155.42619 2.36233 1.74933 -155.49685 321.52457
9685.0000 -158.31815 -155.30031 3.01784 1.74472 -155.56917 319.44928
9690.0000 -157.82654 -155.06740 2.75914 1.75919 -155.34253 327.63668
9695.0000 -158.27631 -155.14274 3.13358 1.76261 -155.28880 331.79198
9700.0000 -158.09771 -155.96633 2.13138 1.73555 -155.71283 307.69626
9705.0000 -157.92677 -155.55987 2.36690 1.74413 -155.57832 318.09834
9710.0000 -158.21266 -155.34062 2.87203 1.75469 -155.41295 330.52695
9715.0000 -157.64302 -154.81357 2.82945 1.78143 -154.99410 342.35151
9720.0000 -157.59320 -154.86400 2.72920 1.78944 -154.86864 342.66501
9725.0000 -157.92136 -155.27159 2.64977 1.76032 -155.32476 319.44916
9730.0000 -157.87468 -155.40218 2.47250 1.75459 -155.41446 314.28888
9735.0000 -157.88718 -155.25788 2.62930 1.77763 -155.05352 339.58330
9740.0000 -157.67149 -154.81959 2.85191 1.77430 -155.10574 334.62225
9745.0000 -158.22778 -155.84277 2.38501 1.75883 -155.34803 320.50498
9750.0000 -157.81559 -155.50559 2.31000 1.71993 -155.95748 283.90166
FREEZING PROCESS: loop number 40 T-loop= 300.00000000000000
main_MD> interactions number 40 at Temperature= 300.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.39787 0.48790 -1.15573
force_rgl> df(natom) -3.00381 2.25979 0.18961
9755.0000 -158.15385 -155.71098 2.44287 1.75664 -155.38235 315.96398
9760.0000 -158.16686 -155.43460 2.73226 1.74549 -155.55699 306.79999
9765.0000 -158.07139 -155.97389 2.09749 1.72045 -155.94934 284.83593
9770.0000 -158.29037 -156.00563 2.28474 1.69649 -156.32465 263.40045
9775.0000 -158.16287 -155.42110 2.74177 1.73594 -155.70666 302.50484
9780.0000 -157.85303 -155.93615 1.91688 1.73239 -155.76227 294.61553
9785.0000 -158.15212 -155.62682 2.52529 1.72908 -155.81413 295.52411
9790.0000 -157.90017 -155.71583 2.18433 1.74257 -155.60283 301.82861
9795.0000 -158.15214 -155.66107 2.49107 1.74331 -155.59120 306.75903
9800.0000 -157.89014 -155.55964 2.33050 1.74985 -155.48874 315.95872
9805.0000 -158.13138 -155.87297 2.25841 1.72497 -155.87846 290.72557
9810.0000 -157.79225 -155.17691 2.61534 1.76349 -155.27503 325.47053
9815.0000 -158.26732 -156.14605 2.12127 1.74321 -155.59282 305.44234
9820.0000 -158.16817 -155.95840 2.20977 1.71904 -155.97132 284.77674
9825.0000 -158.15743 -155.71370 2.44374 1.71947 -155.96459 284.11153
9830.0000 -157.67239 -155.30307 2.36931 1.76108 -155.31288 319.41450
9835.0000 -157.85914 -155.37729 2.48185 1.75611 -155.39077 315.08066
9840.0000 -157.89742 -155.18800 2.70943 1.76005 -155.32899 304.91221
9845.0000 -158.10087 -156.03794 2.06293 1.75862 -155.35133 304.50585
9850.0000 -158.03753 -155.56643 2.47111 1.72987 -155.80182 283.16514
9855.0000 -158.24629 -155.93396 2.31232 1.71590 -156.02054 269.10291
9860.0000 -158.27926 -155.61391 2.66535 1.74300 -155.59614 293.87750
9865.0000 -157.63360 -155.25375 2.37985 1.76042 -155.32324 298.45255
9870.0000 -157.85050 -155.75208 2.09842 1.74748 -155.52591 288.27042
9875.0000 -157.90047 -155.41414 2.48632 1.72763 -155.83678 271.16967
9880.0000 -157.97437 -155.15358 2.82079 1.77209 -155.14043 318.82362
9885.0000 -157.69790 -155.37399 2.32391 1.77778 -155.05128 322.28637
9890.0000 -157.83086 -154.88743 2.94343 1.77681 -155.06651 319.61375
9895.0000 -157.29123 -154.87637 2.41487 1.75887 -155.34753 302.28572
9900.0000 -158.22715 -155.78522 2.44193 1.76267 -155.28799 309.48499
9905.0000 -157.42742 -155.19482 2.23260 1.76154 -155.30571 306.05408
9910.0000 -158.00889 -155.48385 2.52504 1.76591 -155.23716 308.60776
9915.0000 -157.67865 -155.68195 1.99670 1.74834 -155.51235 291.39425
9920.0000 -158.23286 -156.02939 2.20347 1.73077 -155.78763 275.85194
9925.0000 -158.16124 -155.64091 2.52033 1.72932 -155.81039 276.20446
9930.0000 -158.18330 -155.91018 2.27312 1.73364 -155.74262 282.33127
9935.0000 -157.27387 -154.77222 2.50165 1.74477 -155.56831 293.14880
9940.0000 -157.45075 -154.92551 2.52524 1.77934 -155.02682 322.84372
9945.0000 -158.13876 -155.72295 2.41581 1.76143 -155.30729 304.00166
9950.0000 -157.81863 -155.15735 2.66127 1.74721 -155.53009 294.91953
9955.0000 -158.00507 -155.72769 2.27737 1.72810 -155.82951 280.29325
9960.0000 -157.86442 -155.49059 2.37383 1.72071 -155.94521 271.03722
9965.0000 -157.92973 -155.72610 2.20363 1.75070 -155.47549 297.77555
9970.0000 -157.61701 -155.43392 2.18309 1.72933 -155.81014 278.49143
9975.0000 -157.11497 -154.70319 2.41178 1.79333 -154.80766 334.50823
9980.0000 -157.59144 -155.09519 2.49625 1.77787 -155.04982 320.42638
9985.0000 -157.41005 -155.11824 2.29181 1.75977 -155.33329 306.85973
9990.0000 -158.29773 -155.64055 2.65718 1.74297 -155.59655 296.40301
9995.0000 -157.41326 -155.12860 2.28466 1.76748 -155.21263 312.43046
10000.0000 -157.98907 -155.70345 2.28562 1.76270 -155.28754 309.05920
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 39.7134900 [s].
main_MD> Deallocating global variables
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