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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_24/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_24.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 = 24 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 2050
main_MD> Size of nv and nvoiz: 24 2400
main_MD> Size of nv and nvoiz: 24 2400
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 = 24
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> -2.2302294241155114E-002 -0.18738473016866664 -0.19648248672460275 initial drift of cluster / NP1 for coalescence
init> 0.37709255474574638 0.37991510086754937 0.25930581738572828 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.9199243706257323E-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) 0.42824 2.88963 0.49636
force_rgl> df(natom) -1.94389 0.52022 1.02330
preparo> THERMALIZATION PROCESS AT 1342.2509151732563
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -46.558216247896468 4.6400597843882005 -51.198276032284667 6.6538548015473184E-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 41
FREEZING PROCESS: loop number 1 T-loop= 1308.0000000000000
main_MD> interactions number 1 at Temperature= 1308.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.01278 2.85926 0.32466
force_rgl> df(natom) 7.63947 1.73562 1.89332
5.0000 -52.05022 -49.25378 2.79644 2.83596 -47.20388 1447.79219
10.0000 -53.57398 -48.32976 5.24421 2.69604 -48.36804 1419.12623
15.0000 -52.29121 -48.42252 3.86869 2.58805 -49.26658 1250.96068
20.0000 -53.65427 -50.83135 2.82292 2.49945 -50.00374 1152.66892
25.0000 -53.69046 -50.05666 3.63380 2.53341 -49.72121 1175.85568
30.0000 -52.58279 -48.83037 3.75241 2.59490 -49.20955 1279.97777
35.0000 -51.64486 -47.49995 4.14490 2.77747 -47.69054 1405.44962
40.0000 -51.74972 -47.95153 3.79820 2.72246 -48.14825 1384.08461
45.0000 -53.12469 -47.92051 5.20419 2.77359 -47.72282 1369.15014
50.0000 -52.90288 -48.98673 3.91615 2.68782 -48.43643 1277.87833
55.0000 -53.26394 -49.50655 3.75739 2.62153 -48.98799 1292.31240
60.0000 -50.78672 -47.91364 2.87309 2.67884 -48.51117 1338.44546
65.0000 -52.45217 -48.66117 3.79100 2.77875 -47.67984 1422.84899
70.0000 -54.15369 -49.77147 4.38222 2.58547 -49.28802 1254.58364
75.0000 -53.17178 -49.50130 3.67047 2.59679 -49.19382 1221.62958
80.0000 -52.80606 -48.47372 4.33234 2.58001 -49.33345 1332.66654
85.0000 -53.45475 -50.16641 3.28834 2.60601 -49.11709 1190.57916
90.0000 -52.69876 -48.78525 3.91351 2.60493 -49.12613 1203.90081
95.0000 -52.66542 -48.17405 4.49137 2.67718 -48.52497 1293.83169
100.0000 -53.38329 -49.37969 4.00360 2.58093 -49.32576 1177.33892
105.0000 -52.27819 -47.42237 4.85581 2.75066 -47.91357 1425.81926
110.0000 -51.82930 -48.42523 3.40407 2.78769 -47.60545 1364.08656
115.0000 -53.39372 -48.22925 5.16447 2.66404 -48.63428 1255.65666
120.0000 -53.34335 -50.27017 3.07317 2.62978 -48.91937 1297.36892
125.0000 -53.42897 -49.26360 4.16536 2.53493 -49.70850 1145.62842
130.0000 -54.37580 -50.11672 4.25909 2.56364 -49.46965 1191.90044
135.0000 -53.92201 -50.42834 3.49367 2.47956 -50.16924 1115.19581
140.0000 -53.42720 -49.98162 3.44558 2.45020 -50.41349 1124.67598
145.0000 -51.88950 -47.99116 3.89835 2.65520 -48.70784 1264.70203
150.0000 -52.13796 -46.73771 5.40026 2.85315 -47.06084 1421.58575
155.0000 -52.67194 -49.38451 3.28742 2.65562 -48.70437 1337.57588
160.0000 -53.70498 -49.42963 4.27535 2.57315 -49.39054 1257.37018
165.0000 -51.17436 -47.77600 3.39836 2.72383 -48.13679 1335.60222
170.0000 -53.87898 -49.15226 4.72672 2.68678 -48.44511 1300.60108
175.0000 -52.44819 -48.53364 3.91455 2.74222 -47.98384 1343.33546
180.0000 -53.48907 -47.93295 5.55612 2.70508 -48.29279 1482.51215
185.0000 -53.39251 -47.86937 5.52314 2.76539 -47.79099 1465.15793
190.0000 -53.42721 -49.86955 3.55766 2.59878 -49.17729 1256.29684
195.0000 -53.61795 -50.16506 3.45288 2.47647 -50.19498 1128.48935
200.0000 -53.27455 -50.10853 3.16602 2.53790 -49.68384 1190.36100
205.0000 -52.86382 -48.61524 4.24859 2.54345 -49.63763 1169.06311
210.0000 -53.81125 -49.89298 3.91827 2.57833 -49.34740 1295.25163
215.0000 -52.63327 -48.67135 3.96192 2.61504 -49.04195 1278.40950
220.0000 -50.90432 -47.02984 3.87448 2.77474 -47.71327 1484.85392
225.0000 -53.57090 -49.14558 4.42532 2.61714 -49.02451 1250.62137
230.0000 -51.37059 -48.17417 3.19642 2.68318 -48.47501 1278.69881
235.0000 -53.04308 -49.29916 3.74392 2.67812 -48.51718 1283.71597
240.0000 -53.22103 -49.50058 3.72045 2.46913 -50.25599 1055.57926
245.0000 -53.59083 -50.39283 3.19800 2.51299 -49.89108 1204.01467
250.0000 -52.34906 -47.76189 4.58717 2.63194 -48.90136 1267.97263
FREEZING PROCESS: loop number 2 T-loop= 1283.0000000000000
main_MD> interactions number 2 at Temperature= 1283.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.36646 3.47308 -1.59273
force_rgl> df(natom) 1.59151 1.53417 4.03160
255.0000 -52.03183 -47.49137 4.54046 2.80349 -47.47401 1454.74896
260.0000 -52.78161 -49.39012 3.39149 2.76036 -47.83285 1397.61435
265.0000 -53.92782 -50.51482 3.41300 2.50336 -49.97120 1135.51446
270.0000 -54.27002 -51.66410 2.60593 2.44833 -50.42905 1104.37238
275.0000 -52.77669 -50.09644 2.68025 2.30726 -51.60279 997.27163
280.0000 -53.92250 -50.56464 3.35786 2.54148 -49.65401 1144.41486
285.0000 -53.23286 -49.84092 3.39194 2.55311 -49.55730 1192.81779
290.0000 -52.64198 -49.16364 3.47834 2.54267 -49.64417 1148.64298
295.0000 -53.24026 -48.11467 5.12559 2.66878 -48.59485 1262.12307
300.0000 -54.33494 -49.86886 4.46608 2.63251 -48.89663 1294.23084
305.0000 -53.37696 -50.27135 3.10561 2.53096 -49.74158 1156.18447
310.0000 -53.53942 -49.60787 3.93155 2.56763 -49.43645 1210.24688
315.0000 -53.91603 -50.82746 3.08857 2.44430 -50.46256 1084.08408
320.0000 -54.08294 -50.94791 3.13503 2.37144 -51.06882 1055.09553
325.0000 -51.74194 -48.81911 2.92282 2.54977 -49.58505 1148.99190
330.0000 -52.82513 -48.71992 4.10521 2.70257 -48.31375 1265.41250
335.0000 -52.03342 -48.29006 3.74336 2.66983 -48.58614 1311.97514
340.0000 -54.52663 -49.28959 5.23704 2.66694 -48.61016 1288.78501
345.0000 -53.74480 -49.04672 4.69808 2.53624 -49.69764 1227.65818
350.0000 -53.01528 -50.19716 2.81812 2.62555 -48.95456 1265.21346
355.0000 -54.80312 -51.41854 3.38457 2.42579 -50.61659 1028.13344
360.0000 -54.12322 -49.89185 4.23137 2.40474 -50.79173 1078.54950
365.0000 -52.81113 -49.45770 3.35343 2.51480 -49.87606 1108.36482
370.0000 -53.61059 -49.25448 4.35611 2.54029 -49.66394 1260.15995
375.0000 -52.03086 -47.85009 4.18077 2.64849 -48.76371 1260.08744
380.0000 -52.49428 -47.32081 5.17346 2.79554 -47.54018 1382.95843
385.0000 -51.65170 -47.16745 4.48425 2.82593 -47.28730 1356.55372
390.0000 -52.40924 -48.16863 4.24061 2.79121 -47.57622 1405.98180
395.0000 -52.15002 -49.11818 3.03184 2.72074 -48.16253 1398.73363
400.0000 -54.09508 -50.22754 3.86754 2.57137 -49.40531 1185.55977
405.0000 -53.76230 -49.36801 4.39430 2.54840 -49.59646 1219.92776
410.0000 -53.92440 -50.02871 3.89569 2.51783 -49.85084 1234.51720
415.0000 -52.69592 -48.69905 3.99687 2.63032 -48.91486 1300.64599
420.0000 -52.01263 -47.37894 4.63369 2.76931 -47.75843 1371.94629
425.0000 -51.79090 -47.69446 4.09644 2.78088 -47.66211 1416.60176
430.0000 -52.85285 -48.09101 4.76184 2.74499 -47.96080 1323.42426
435.0000 -53.09179 -48.20761 4.88418 2.66608 -48.61730 1289.64718
440.0000 -51.60101 -47.72527 3.87573 2.71883 -48.17839 1344.46172
445.0000 -52.40164 -48.36008 4.04156 2.71354 -48.22244 1280.76522
450.0000 -53.06992 -49.54444 3.52548 2.69468 -48.37935 1393.02280
455.0000 -51.80895 -46.53769 5.27126 2.79758 -47.52320 1434.57764
460.0000 -53.20628 -49.23663 3.96965 2.68602 -48.45139 1308.87982
465.0000 -51.63109 -48.36042 3.27067 2.73295 -48.06094 1377.92333
470.0000 -51.89549 -47.59685 4.29863 2.69321 -48.39160 1299.85022
475.0000 -53.45900 -49.35848 4.10051 2.70445 -48.29808 1304.57861
480.0000 -52.20486 -48.84929 3.35557 2.57122 -49.40659 1174.37623
485.0000 -51.78513 -47.30051 4.48462 2.73990 -48.00313 1405.23150
490.0000 -51.61519 -47.95174 3.66345 2.78810 -47.60209 1396.00137
495.0000 -51.69126 -47.58902 4.10224 2.70090 -48.32757 1328.40843
500.0000 -52.06118 -48.84925 3.21193 2.72172 -48.15437 1493.06493
FREEZING PROCESS: loop number 3 T-loop= 1258.0000000000000
main_MD> interactions number 3 at Temperature= 1258.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.29265 -3.67238 1.34886
force_rgl> df(natom) 3.92343 -0.67247 -3.71754
505.0000 -51.78641 -47.13731 4.64909 2.85659 -47.03222 1458.29379
510.0000 -53.74740 -48.26407 5.48333 2.67501 -48.54305 1323.37407
515.0000 -52.55053 -48.92576 3.62478 2.64790 -48.76855 1253.65184
520.0000 -53.70675 -50.31074 3.39601 2.47339 -50.22053 1104.82250
525.0000 -52.59937 -49.15534 3.44403 2.57264 -49.39477 1206.75480
530.0000 -52.49969 -48.43814 4.06155 2.60225 -49.14838 1148.37516
535.0000 -54.17456 -50.15979 4.01477 2.60566 -49.12000 1287.41703
540.0000 -53.09515 -49.59855 3.49660 2.41138 -50.73652 1105.14488
545.0000 -53.66790 -48.93313 4.73476 2.64604 -48.78405 1325.54418
550.0000 -53.61524 -49.46042 4.15481 2.57967 -49.33626 1243.29026
555.0000 -53.08271 -49.79104 3.29167 2.52099 -49.82451 1170.45704
560.0000 -52.97498 -49.26786 3.70712 2.58646 -49.27975 1255.29340
565.0000 -53.39676 -49.00240 4.39437 2.57688 -49.35946 1247.50474
570.0000 -50.64876 -46.86612 3.78264 2.78442 -47.63270 1382.25897
575.0000 -52.35328 -47.32058 5.03270 2.79401 -47.55293 1364.19470
580.0000 -51.54508 -46.92438 4.62070 2.84509 -47.12790 1451.10103
585.0000 -52.61943 -48.85821 3.76121 2.84341 -47.14189 1436.78993
590.0000 -53.61210 -49.03229 4.57981 2.57361 -49.38667 1222.56742
595.0000 -52.84007 -48.67649 4.16358 2.64303 -48.80911 1352.32085
600.0000 -55.08166 -51.64472 3.43694 2.40870 -50.75881 1039.94556
605.0000 -52.60643 -49.22514 3.38129 2.43349 -50.55252 1125.00986
610.0000 -51.43672 -47.24871 4.18801 2.65030 -48.74860 1259.72344
615.0000 -50.90034 -46.98736 3.91298 2.79474 -47.54685 1417.82915
620.0000 -50.99031 -46.96418 4.02613 2.90447 -46.63387 1491.96653
625.0000 -52.95733 -48.45278 4.50455 2.75933 -47.84144 1379.53037
630.0000 -51.69595 -46.88557 4.81039 2.72210 -48.15125 1375.89833
635.0000 -51.87928 -47.54289 4.33639 2.78372 -47.63852 1383.08150
640.0000 -53.66050 -49.07137 4.58913 2.84222 -47.15178 1499.16269
645.0000 -51.99107 -48.39175 3.59932 2.65560 -48.70449 1277.05034
650.0000 -51.50710 -48.51301 2.99409 2.61335 -49.05605 1279.01179
655.0000 -51.84718 -49.12886 2.71833 2.61906 -49.00850 1226.98889
660.0000 -51.65553 -48.61170 3.04383 2.63156 -48.90454 1129.35439
665.0000 -51.89274 -47.94387 3.94887 2.77430 -47.71691 1364.29257
670.0000 -52.83628 -47.47045 5.36583 2.74070 -47.99644 1333.22138
675.0000 -53.79639 -49.32212 4.47427 2.73495 -48.04430 1447.00174
680.0000 -53.29873 -49.99286 3.30587 2.55437 -49.54681 1232.59759
685.0000 -53.49843 -49.04196 4.45647 2.58884 -49.26000 1217.65934
690.0000 -52.27043 -48.43472 3.83571 2.64610 -48.78359 1293.46315
695.0000 -52.15830 -48.19165 3.96665 2.57796 -49.35054 1228.23036
700.0000 -53.36213 -50.41555 2.94658 2.60973 -49.08620 1202.33989
705.0000 -51.39971 -47.27973 4.11998 2.65412 -48.71680 1271.35641
710.0000 -53.01623 -49.40655 3.60968 2.68932 -48.42398 1329.09350
715.0000 -52.03425 -48.32170 3.71255 2.62365 -48.97039 1231.22648
720.0000 -52.73426 -47.09569 5.63858 2.68180 -48.48656 1249.32360
725.0000 -54.31938 -50.23816 4.08122 2.75779 -47.85428 1477.15642
730.0000 -53.44112 -50.14064 3.30049 2.44001 -50.49830 1001.31741
735.0000 -53.05263 -48.53765 4.51497 2.52700 -49.77450 1201.36061
740.0000 -52.28157 -48.81402 3.46755 2.74221 -47.98390 1434.12412
745.0000 -52.20883 -48.30788 3.90095 2.78087 -47.66223 1392.54021
750.0000 -52.56731 -48.68640 3.88092 2.61919 -49.00745 1242.41469
FREEZING PROCESS: loop number 4 T-loop= 1233.0000000000000
main_MD> interactions number 4 at Temperature= 1233.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.93691 0.08295 0.30040
force_rgl> df(natom) -3.88525 0.13289 2.52627
755.0000 -52.16957 -48.32394 3.84562 2.69192 -48.40229 1266.06365
760.0000 -52.09347 -48.86702 3.22646 2.68003 -48.50125 1280.73379
765.0000 -52.54572 -49.05185 3.49387 2.68872 -48.42892 1309.61514
770.0000 -53.13734 -49.63927 3.49807 2.56281 -49.47657 1265.18396
775.0000 -53.48192 -49.87050 3.61142 2.45205 -50.39810 1127.81006
780.0000 -53.29184 -49.44045 3.85139 2.55078 -49.57669 1182.86155
785.0000 -51.25166 -47.45267 3.79899 2.72347 -48.13978 1343.41655
790.0000 -52.37016 -48.15768 4.21248 2.76549 -47.79019 1463.94112
795.0000 -53.64497 -49.52593 4.11903 2.64932 -48.75680 1302.52719
800.0000 -53.68773 -50.50339 3.18434 2.46941 -50.25367 1143.57707
805.0000 -52.34581 -49.66397 2.68184 2.47218 -50.23064 1107.12380
810.0000 -53.00485 -48.80034 4.20451 2.66494 -48.62682 1354.23840
815.0000 -53.17974 -49.86337 3.31637 2.57199 -49.40015 1250.56976
820.0000 -52.83277 -49.37282 3.45995 2.59552 -49.20437 1180.21259
825.0000 -53.85813 -49.20312 4.65501 2.57834 -49.34738 1178.74879
830.0000 -51.26571 -47.87004 3.39566 2.74323 -47.97542 1418.71179
835.0000 -51.55288 -47.59478 3.95810 2.81190 -47.40406 1455.06069
840.0000 -52.35263 -48.30604 4.04659 2.73863 -48.01365 1354.21098
845.0000 -52.54774 -48.71645 3.83129 2.67083 -48.57777 1292.26310
850.0000 -53.04718 -49.48614 3.56104 2.63151 -48.90493 1218.73189
855.0000 -52.16140 -49.18795 2.97345 2.51192 -49.90001 1189.53339
860.0000 -52.69124 -47.64922 5.04203 2.70636 -48.28219 1320.98233
865.0000 -52.35400 -48.73025 3.62374 2.71312 -48.22591 1304.85836
870.0000 -53.89706 -50.07586 3.82120 2.53170 -49.73537 1194.23538
875.0000 -52.79257 -49.28758 3.50499 2.50608 -49.94856 1191.27709
880.0000 -52.98763 -50.03682 2.95081 2.63666 -48.86210 1233.41472
885.0000 -52.42191 -48.21379 4.20811 2.61958 -49.00422 1234.17931
890.0000 -52.14798 -49.00646 3.14152 2.64754 -48.77157 1245.80797
895.0000 -51.16334 -46.92656 4.23677 2.69926 -48.34122 1306.85669
900.0000 -53.46701 -49.13847 4.32854 2.80371 -47.47217 1462.07759
905.0000 -52.68444 -49.29355 3.39090 2.63459 -48.87933 1253.93288
910.0000 -53.77255 -50.43403 3.33852 2.54996 -49.58347 1216.38889
915.0000 -54.50106 -51.26916 3.23190 2.39660 -50.85950 1057.94084
920.0000 -52.28932 -48.10143 4.18788 2.62433 -48.96471 1233.38342
925.0000 -52.21983 -47.10539 5.11443 2.85211 -47.06948 1453.06469
930.0000 -52.89819 -48.91432 3.98387 2.74895 -47.92781 1392.01632
935.0000 -53.63945 -49.05128 4.58817 2.55689 -49.52586 1150.29009
940.0000 -53.45390 -50.19166 3.26224 2.50488 -49.95855 1192.80035
945.0000 -53.47770 -49.07493 4.40276 2.51580 -49.86774 1196.19346
950.0000 -53.86949 -50.17225 3.69724 2.54520 -49.62309 1208.72219
955.0000 -55.04190 -51.81531 3.22659 2.27477 -51.87315 954.70094
960.0000 -53.92858 -50.20057 3.72800 2.42178 -50.65000 1110.95805
965.0000 -52.60190 -49.43008 3.17182 2.51662 -49.86086 1175.67671
970.0000 -53.98927 -50.36026 3.62901 2.52516 -49.78979 1236.85679
975.0000 -54.94159 -51.55500 3.38659 2.45242 -50.39505 1184.96584
980.0000 -53.51179 -50.00691 3.50488 2.41591 -50.69880 1116.46853
985.0000 -53.12331 -48.74534 4.37797 2.52346 -49.80397 1165.50197
990.0000 -50.68586 -46.57717 4.10868 2.83142 -47.24163 1473.12229
995.0000 -51.27949 -46.95433 4.32516 2.91450 -46.55034 1624.50920
1000.0000 -53.37493 -48.34376 5.03117 2.75540 -47.87418 1362.96534
FREEZING PROCESS: loop number 5 T-loop= 1208.0000000000000
main_MD> interactions number 5 at Temperature= 1208.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.34694 1.70291 2.07986
force_rgl> df(natom) -1.14220 0.47280 2.12591
1005.0000 -53.01401 -49.66804 3.34596 2.52828 -49.76383 1150.03919
1010.0000 -51.91942 -48.66469 3.25473 2.60227 -49.14824 1267.56823
1015.0000 -52.16495 -47.87244 4.29252 2.64663 -48.77912 1344.88589
1020.0000 -52.61566 -48.28855 4.32711 2.72490 -48.12793 1357.70730
1025.0000 -51.90953 -48.47079 3.43874 2.64603 -48.78415 1258.97059
1030.0000 -52.51093 -48.06350 4.44743 2.76598 -47.78615 1372.42106
1035.0000 -52.71585 -50.14468 2.57117 2.56891 -49.42582 1165.42424
1040.0000 -52.72313 -49.14622 3.57691 2.55517 -49.54011 1145.47698
1045.0000 -53.07415 -48.13225 4.94190 2.61870 -49.01153 1248.64818
1050.0000 -52.85079 -48.65204 4.19875 2.76766 -47.77213 1311.19129
1055.0000 -51.33456 -48.26289 3.07167 2.70450 -48.29764 1395.81204
1060.0000 -52.43938 -48.71507 3.72431 2.69159 -48.40507 1318.40911
1065.0000 -54.46827 -49.64931 4.81896 2.53976 -49.66832 1220.21427
1070.0000 -54.17654 -51.29443 2.88211 2.54312 -49.64038 1168.06135
1075.0000 -53.27161 -49.35924 3.91237 2.47184 -50.23345 1137.83715
1080.0000 -51.35899 -47.89167 3.46733 2.67907 -48.50923 1330.17782
1085.0000 -52.60997 -48.38315 4.22682 2.70712 -48.27582 1262.53395
1090.0000 -52.30801 -47.72077 4.58723 2.83712 -47.19417 1492.88109
1095.0000 -52.04408 -47.73829 4.30579 2.84409 -47.13625 1432.52732
1100.0000 -52.29204 -47.72341 4.56863 2.69737 -48.35699 1424.57225
1105.0000 -52.45796 -48.77402 3.68393 2.71016 -48.25056 1379.14584
1110.0000 -52.48219 -49.13557 3.34662 2.59119 -49.24042 1214.51279
1115.0000 -52.20483 -48.20227 4.00256 2.64120 -48.82434 1253.49508
1120.0000 -52.54722 -50.13885 2.40837 2.64504 -48.79240 1249.79318
1125.0000 -54.54485 -50.59417 3.95068 2.51483 -49.87578 1152.33235
1130.0000 -53.04680 -48.92414 4.12266 2.54531 -49.62215 1224.67285
1135.0000 -53.00479 -49.06558 3.93920 2.62952 -48.92155 1199.46010
1140.0000 -52.59538 -48.01447 4.58091 2.67164 -48.57106 1387.67294
1145.0000 -52.55838 -49.24730 3.31108 2.66931 -48.59043 1328.56619
1150.0000 -52.50970 -48.78895 3.72075 2.66663 -48.61273 1281.40017
1155.0000 -52.66604 -48.86738 3.79866 2.58500 -49.29191 1233.91048
1160.0000 -54.60305 -50.39295 4.21010 2.48299 -50.14070 1148.02004
1165.0000 -53.23124 -48.48770 4.74353 2.52435 -49.79656 1219.77835
1170.0000 -52.30296 -48.48842 3.81454 2.69555 -48.37212 1359.91616
1175.0000 -53.15143 -49.61860 3.53283 2.63257 -48.89612 1229.19138
1180.0000 -54.24866 -50.45305 3.79560 2.57486 -49.37626 1227.05807
1185.0000 -52.30874 -48.34006 3.96867 2.50803 -49.93238 1210.13651
1190.0000 -52.83821 -48.84272 3.99549 2.67717 -48.52502 1301.84778
1195.0000 -52.90773 -48.16049 4.74723 2.65269 -48.72871 1311.78822
1200.0000 -51.64507 -47.94709 3.69798 2.72684 -48.11178 1380.64584
1205.0000 -51.11363 -47.17048 3.94315 2.76656 -47.78129 1379.40672
1210.0000 -52.92697 -49.45370 3.47327 2.60047 -49.16322 1216.40938
1215.0000 -54.13794 -49.95401 4.18392 2.54659 -49.61149 1189.79698
1220.0000 -52.55701 -50.22926 2.32774 2.50999 -49.91601 1216.63881
1225.0000 -51.56948 -47.29366 4.27582 2.62455 -48.96289 1273.18091
1230.0000 -53.16629 -49.44425 3.72204 2.77285 -47.72896 1376.19200
1235.0000 -52.71310 -48.71294 4.00015 2.61090 -49.07643 1252.88264
1240.0000 -52.57902 -48.31814 4.26088 2.61871 -49.01149 1329.77522
1245.0000 -53.44475 -48.89047 4.55428 2.68192 -48.48555 1330.83048
1250.0000 -52.22837 -48.20321 4.02517 2.65733 -48.69014 1207.30816
FREEZING PROCESS: loop number 6 T-loop= 1183.0000000000000
main_MD> interactions number 6 at Temperature= 1183.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.91695 1.32746 -1.05430
force_rgl> df(natom) -1.22006 -2.45086 -1.44693
1255.0000 -52.26424 -48.30682 3.95743 2.73920 -48.00897 1367.02967
1260.0000 -52.40866 -49.64210 2.76656 2.60082 -49.16033 1255.96606
1265.0000 -54.62482 -51.03363 3.59119 2.39589 -50.86543 1050.66806
1270.0000 -54.31064 -49.72901 4.58163 2.47175 -50.23417 1153.01795
1275.0000 -52.69285 -49.59027 3.10258 2.52324 -49.80577 1156.85717
1280.0000 -52.81040 -48.85233 3.95807 2.55900 -49.50828 1209.43134
1285.0000 -54.32183 -50.29937 4.02246 2.53375 -49.71832 1057.87609
1290.0000 -53.50001 -50.35832 3.14169 2.44103 -50.48984 1051.17378
1295.0000 -54.08666 -50.74958 3.33708 2.44607 -50.44788 1043.75457
1300.0000 -52.89159 -48.90302 3.98857 2.45616 -50.36389 1108.58782
1305.0000 -52.93554 -49.71178 3.22375 2.58653 -49.27924 1184.39935
1310.0000 -53.46559 -51.31972 2.14587 2.44422 -50.46326 1136.42252
1315.0000 -53.72182 -50.02001 3.70180 2.45171 -50.40097 1102.77088
1320.0000 -53.93576 -48.65837 5.27739 2.58139 -49.32200 1259.32802
1325.0000 -52.86502 -49.56868 3.29634 2.58512 -49.29097 1253.10292
1330.0000 -53.42070 -49.60042 3.82028 2.52566 -49.78564 1155.39721
1335.0000 -55.08380 -51.70035 3.38346 2.38520 -50.95434 1088.70229
1340.0000 -53.51475 -49.32447 4.19028 2.45188 -50.39953 1104.52404
1345.0000 -54.21324 -50.23989 3.97335 2.56647 -49.44609 1265.81560
1350.0000 -53.59778 -49.90233 3.69545 2.48314 -50.13948 1145.14148
1355.0000 -53.65337 -50.77157 2.88180 2.45009 -50.41446 1129.57095
1360.0000 -53.27612 -50.15928 3.11684 2.46314 -50.30583 1123.31831
1365.0000 -54.00043 -50.52158 3.47885 2.38127 -50.98706 1024.58136
1370.0000 -54.47178 -50.62253 3.84925 2.43051 -50.57734 1038.61329
1375.0000 -54.10891 -50.87133 3.23758 2.40002 -50.83100 1052.19123
1380.0000 -53.76573 -50.44126 3.32447 2.40700 -50.77298 1070.00121
1385.0000 -54.74785 -50.23239 4.51546 2.49291 -50.05819 1124.29013
1390.0000 -53.28757 -48.86120 4.42636 2.58539 -49.28867 1158.35705
1395.0000 -52.09345 -48.68637 3.40708 2.66738 -48.60652 1406.66305
1400.0000 -53.31254 -49.57897 3.73357 2.64729 -48.77362 1243.21563
1405.0000 -52.86753 -49.88387 2.98366 2.46016 -50.33061 1110.25966
1410.0000 -52.92968 -48.91800 4.01168 2.60185 -49.15171 1276.56788
1415.0000 -53.10659 -48.65108 4.45551 2.59635 -49.19750 1286.59261
1420.0000 -52.57981 -48.93694 3.64287 2.64777 -48.76968 1256.15645
1425.0000 -52.84679 -48.84855 3.99825 2.68563 -48.45464 1305.56571
1430.0000 -53.76464 -50.73434 3.03030 2.50292 -49.97490 1134.33144
1435.0000 -53.13193 -50.33164 2.80028 2.44741 -50.43677 1067.10134
1440.0000 -53.99069 -49.79285 4.19784 2.56344 -49.47136 1239.54946
1445.0000 -52.21571 -49.05648 3.15922 2.52641 -49.77945 1126.78130
1450.0000 -53.37511 -50.59202 2.78309 2.49522 -50.03893 1138.14453
1455.0000 -53.81822 -51.12458 2.69364 2.40095 -50.82329 1056.22510
1460.0000 -52.09670 -48.71168 3.38502 2.47741 -50.18713 1131.67661
1465.0000 -51.27389 -47.09433 4.17955 2.71985 -48.16995 1326.60321
1470.0000 -52.63042 -47.77995 4.85047 2.75738 -47.85765 1431.96971
1475.0000 -51.56929 -46.50293 5.06637 2.83699 -47.19528 1444.20610
1480.0000 -51.47669 -48.41671 3.05998 2.82109 -47.32762 1432.21319
1485.0000 -53.32427 -50.58620 2.73807 2.59472 -49.21108 1267.60072
1490.0000 -53.32245 -48.19524 5.12721 2.63186 -48.90206 1339.83792
1495.0000 -52.88948 -48.82167 4.06781 2.69367 -48.38778 1353.44281
1500.0000 -54.78581 -50.16965 4.61616 2.49548 -50.03675 1174.75199
FREEZING PROCESS: loop number 7 T-loop= 1158.0000000000000
main_MD> interactions number 7 at Temperature= 1158.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.71141 -0.16557 -2.13108
force_rgl> df(natom) 0.29773 -1.88172 0.07550
1505.0000 -55.27190 -50.75021 4.52169 2.29944 -51.66786 961.11625
1510.0000 -55.04068 -51.66783 3.37284 2.34287 -51.30657 1031.03703
1515.0000 -53.46462 -51.06580 2.39882 2.33562 -51.36687 952.49823
1520.0000 -53.54378 -50.23944 3.30434 2.47840 -50.17887 1059.75005
1525.0000 -54.35244 -50.82096 3.53147 2.47205 -50.23170 1094.90291
1530.0000 -52.60578 -49.27790 3.32788 2.53324 -49.72256 1173.75162
1535.0000 -51.53865 -48.47289 3.06575 2.58233 -49.31412 1231.97404
1540.0000 -52.58308 -48.35832 4.22476 2.69610 -48.36752 1317.82639
1545.0000 -53.34610 -49.47103 3.87507 2.68207 -48.48431 1389.16758
1550.0000 -52.55924 -49.25696 3.30228 2.61765 -49.02026 1277.83347
1555.0000 -53.26860 -48.43954 4.82906 2.64498 -48.79287 1270.76418
1560.0000 -54.21645 -49.45071 4.76573 2.52649 -49.77876 1225.92093
1565.0000 -52.61220 -49.86882 2.74338 2.56358 -49.47013 1237.40567
1570.0000 -53.41893 -50.32463 3.09430 2.49026 -50.08020 1102.23401
1575.0000 -54.48801 -51.18030 3.30771 2.42613 -50.61382 1006.02575
1580.0000 -52.59593 -49.20436 3.39157 2.50869 -49.92684 1110.17828
1585.0000 -54.49994 -50.96768 3.53225 2.50014 -49.99799 1159.50355
1590.0000 -52.47261 -49.00332 3.46929 2.52738 -49.77135 1181.07596
1595.0000 -53.49995 -49.93923 3.56072 2.55445 -49.54615 1112.74119
1600.0000 -54.24585 -50.87388 3.37197 2.51254 -49.89484 1100.91031
1605.0000 -52.90883 -49.21473 3.69410 2.50060 -49.99419 1104.71884
1610.0000 -53.51672 -50.45559 3.06113 2.49002 -50.08217 1088.09779
1615.0000 -53.76974 -49.95738 3.81236 2.48041 -50.16218 1191.54411
1620.0000 -54.20582 -50.90322 3.30260 2.41943 -50.66951 1106.76162
1625.0000 -54.15155 -50.32097 3.83058 2.37016 -51.07951 1053.13223
1630.0000 -53.08584 -49.25515 3.83069 2.58755 -49.27073 1263.75889
1635.0000 -53.08898 -48.76616 4.32282 2.61266 -49.06175 1244.56176
1640.0000 -53.46028 -49.80746 3.65282 2.65489 -48.71045 1338.46330
1645.0000 -53.92844 -50.38579 3.54265 2.50357 -49.96947 1143.56355
1650.0000 -54.32345 -50.11458 4.20887 2.47047 -50.24483 1043.76181
1655.0000 -52.12026 -48.55801 3.56225 2.58930 -49.25617 1240.56470
1660.0000 -52.05993 -48.35574 3.70420 2.66841 -48.59797 1359.01676
1665.0000 -52.41213 -48.57597 3.83616 2.59444 -49.21342 1245.68356
1670.0000 -54.87922 -50.99216 3.88706 2.54732 -49.60541 1206.41012
1675.0000 -54.79720 -51.52242 3.27479 2.33521 -51.37025 1042.75119
1680.0000 -53.31665 -50.00584 3.31081 2.40713 -50.77186 1127.16724
1685.0000 -53.75431 -50.78884 2.96547 2.45611 -50.36434 1042.77874
1690.0000 -53.86414 -48.91194 4.95219 2.52266 -49.81066 1195.10508
1695.0000 -52.64013 -50.05819 2.58194 2.56351 -49.47076 1231.96081
1700.0000 -53.88057 -49.53939 4.34118 2.57464 -49.37816 1249.50139
1705.0000 -54.08464 -50.88708 3.19755 2.42950 -50.58577 1029.68406
1710.0000 -53.49494 -50.04422 3.45072 2.48669 -50.10991 1145.24511
1715.0000 -54.19730 -50.87550 3.32180 2.48209 -50.14820 1033.22788
1720.0000 -54.83872 -51.38756 3.45116 2.44333 -50.47068 1089.81603
1725.0000 -54.59498 -51.13113 3.46384 2.35392 -51.21458 1017.21901
1730.0000 -54.36447 -51.21110 3.15337 2.35748 -51.18499 1059.71108
1735.0000 -54.55811 -51.65654 2.90157 2.33790 -51.34790 950.80127
1740.0000 -52.92656 -50.15741 2.76914 2.41314 -50.72187 1042.20163
1745.0000 -53.30976 -48.85863 4.45112 2.54469 -49.62736 1164.89141
1750.0000 -53.21303 -49.47676 3.73628 2.57083 -49.40981 1253.21084
FREEZING PROCESS: loop number 8 T-loop= 1133.0000000000000
main_MD> interactions number 8 at Temperature= 1133.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.21028 -3.49933 -0.16717
force_rgl> df(natom) 0.40081 9.71152 -3.52641
1755.0000 -54.48650 -50.88132 3.60517 2.40144 -50.81925 1069.44297
1760.0000 -52.90658 -49.77055 3.13603 2.57781 -49.35174 1234.64640
1765.0000 -52.60995 -49.21960 3.39035 2.60343 -49.13862 1181.12632
1770.0000 -52.53380 -49.73845 2.79535 2.59164 -49.23671 1170.60335
1775.0000 -53.79562 -50.24116 3.55446 2.46388 -50.29968 1025.71870
1780.0000 -54.70797 -50.78809 3.91988 2.39114 -50.90488 1125.92442
1785.0000 -52.97747 -50.23046 2.74701 2.35409 -51.21315 1065.68720
1790.0000 -52.79547 -49.93993 2.85554 2.50765 -49.93553 1139.51127
1795.0000 -52.76357 -49.55134 3.21222 2.54966 -49.58594 1149.45011
1800.0000 -53.23298 -49.63360 3.59938 2.55318 -49.55671 1184.20057
1805.0000 -53.01851 -48.65798 4.36053 2.60889 -49.09314 1221.57318
1810.0000 -54.36219 -51.14062 3.22157 2.46290 -50.30787 1143.53813
1815.0000 -53.60884 -50.51991 3.08894 2.37117 -51.07109 1069.50779
1820.0000 -53.69996 -50.58345 3.11650 2.46696 -50.27404 1111.81898
1825.0000 -53.97832 -50.79922 3.17910 2.41476 -50.70836 1077.77171
1830.0000 -53.53401 -50.59945 2.93456 2.38428 -50.96203 1027.03843
1835.0000 -53.02042 -50.03486 2.98556 2.49269 -50.06002 1174.05164
1840.0000 -53.49028 -50.32167 3.16861 2.48217 -50.14748 1169.18916
1845.0000 -52.69380 -49.04140 3.65241 2.50374 -49.96802 1138.90738
1850.0000 -53.31253 -49.53033 3.78220 2.64953 -48.75505 1281.39362
1855.0000 -52.03061 -48.42376 3.60685 2.68290 -48.47739 1338.74526
1860.0000 -53.15576 -49.32581 3.82995 2.56275 -49.47703 1233.08882
1865.0000 -54.58418 -50.18615 4.39804 2.52170 -49.81865 1192.35536
1870.0000 -54.41645 -51.82465 2.59180 2.40771 -50.76706 1084.64021
1875.0000 -54.90133 -51.45282 3.44852 2.29177 -51.73169 956.62630
1880.0000 -54.01981 -50.37495 3.64485 2.42719 -50.60498 1093.86154
1885.0000 -54.80151 -50.62336 4.17815 2.43736 -50.52036 1098.18222
1890.0000 -53.82690 -50.22247 3.60443 2.47740 -50.18720 1150.98591
1895.0000 -52.28149 -48.63391 3.64758 2.54901 -49.59135 1226.53415
1900.0000 -53.35901 -48.19523 5.16378 2.68973 -48.42051 1327.59887
1905.0000 -54.93533 -51.17593 3.75940 2.49542 -50.03723 1190.35568
1910.0000 -53.30250 -49.93042 3.37208 2.40571 -50.78372 1047.75472
1915.0000 -54.87223 -51.69341 3.17882 2.45285 -50.39144 1121.56587
1920.0000 -53.74710 -50.49626 3.25084 2.37076 -51.07451 983.94546
1925.0000 -53.34187 -49.61824 3.72362 2.52712 -49.77348 1178.90233
1930.0000 -54.61660 -52.12637 2.49023 2.39918 -50.83804 1020.79440
1935.0000 -53.60122 -50.21119 3.39003 2.33828 -51.34476 1035.31135
1940.0000 -53.95060 -50.75125 3.19935 2.46429 -50.29627 1168.92665
1945.0000 -54.91856 -51.44964 3.46892 2.37889 -51.00683 1055.80522
1950.0000 -54.06498 -50.05365 4.01133 2.46092 -50.32435 1118.71835
1955.0000 -54.94135 -50.70630 4.23505 2.53269 -49.72715 1220.95280
1960.0000 -53.96231 -50.10557 3.85673 2.44945 -50.41976 1072.34233
1965.0000 -53.47327 -50.42148 3.05179 2.52586 -49.78402 1198.74529
1970.0000 -53.78907 -50.39432 3.39475 2.39563 -50.86752 1045.60778
1975.0000 -55.14737 -51.78151 3.36585 2.40583 -50.78270 1054.54400
1980.0000 -54.77161 -51.15634 3.61527 2.32737 -51.43550 1013.32449
1985.0000 -54.33705 -50.38388 3.95317 2.40271 -50.80864 1076.52980
1990.0000 -53.85340 -49.51113 4.34227 2.47038 -50.24562 1156.85670
1995.0000 -52.73460 -48.83328 3.90132 2.54067 -49.66081 1182.39315
2000.0000 -53.37154 -49.10090 4.27063 2.64973 -48.75337 1250.88474
FREEZING PROCESS: loop number 9 T-loop= 1108.0000000000000
main_MD> interactions number 9 at Temperature= 1108.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.66014 -3.22892 -0.50106
force_rgl> df(natom) 2.12972 -9.23495 -3.67714
2005.0000 -53.61365 -50.09842 3.51523 2.54006 -49.66582 1245.00230
2010.0000 -53.06231 -49.60896 3.45335 2.55097 -49.57506 1215.07044
2015.0000 -52.75230 -49.47642 3.27588 2.52885 -49.75911 1187.54292
2020.0000 -53.87872 -49.51082 4.36790 2.47632 -50.19619 1042.97074
2025.0000 -53.39380 -50.07056 3.32324 2.59905 -49.17506 1223.58648
2030.0000 -53.40190 -49.83530 3.56661 2.50025 -49.99706 1208.01938
2035.0000 -53.58285 -50.00087 3.58198 2.50085 -49.99207 1159.41785
2040.0000 -54.32896 -51.43011 2.89884 2.41679 -50.69148 1069.48898
2045.0000 -54.29903 -50.79758 3.50145 2.30622 -51.61149 920.02153
2050.0000 -54.30691 -51.48872 2.81819 2.35134 -51.23609 1007.32416
2055.0000 -53.07223 -50.06273 3.00950 2.42733 -50.60377 1030.98366
2060.0000 -53.58018 -50.38974 3.19044 2.48592 -50.11632 1078.01749
2065.0000 -53.71466 -49.89820 3.81646 2.50465 -49.96047 1167.04264
2070.0000 -52.28992 -48.55234 3.73758 2.64981 -48.75271 1312.00764
2075.0000 -52.91050 -49.56573 3.34477 2.60228 -49.14820 1175.85607
2080.0000 -53.21564 -49.70377 3.51187 2.58906 -49.25814 1213.01627
2085.0000 -54.38216 -51.45514 2.92702 2.40258 -50.80973 1043.55311
2090.0000 -54.76905 -51.84609 2.92296 2.27061 -51.90779 965.39340
2095.0000 -54.56799 -51.91866 2.64933 2.29548 -51.70080 937.78518
2100.0000 -54.31212 -51.73577 2.57634 2.33100 -51.40532 969.74776
2105.0000 -53.95921 -50.26308 3.69613 2.38431 -50.96172 1016.98282
2110.0000 -53.93511 -50.68037 3.25474 2.49298 -50.05755 1134.59421
2115.0000 -53.84342 -50.37594 3.46748 2.53650 -49.69546 1133.89345
2120.0000 -55.27302 -52.06248 3.21054 2.31363 -51.54985 973.11860
2125.0000 -54.86597 -52.04931 2.81666 2.24781 -52.09746 889.63350
2130.0000 -54.68285 -51.59173 3.09112 2.26873 -51.92344 949.36087
2135.0000 -54.86199 -51.69172 3.17026 2.33160 -51.40031 995.75233
2140.0000 -54.46324 -51.83680 2.62644 2.30776 -51.59866 993.70649
2145.0000 -54.30010 -51.32100 2.97910 2.37494 -51.03971 1089.60048
2150.0000 -53.71845 -50.83615 2.88230 2.36127 -51.15348 1065.63699
2155.0000 -54.25693 -50.68928 3.56765 2.42335 -50.63691 1126.68714
2160.0000 -54.89312 -50.50206 4.39107 2.50984 -49.91729 1253.34139
2165.0000 -53.59481 -49.87321 3.72160 2.42014 -50.66363 1036.68503
2170.0000 -53.38155 -49.51779 3.86376 2.53159 -49.73631 1155.47658
2175.0000 -53.22330 -49.66740 3.55590 2.46644 -50.27838 1086.21813
2180.0000 -53.32531 -50.58362 2.74169 2.48631 -50.11303 1113.21167
2185.0000 -53.43082 -50.32751 3.10332 2.47931 -50.17132 1101.67217
2190.0000 -55.17763 -50.57927 4.59836 2.55205 -49.56605 1186.93050
2195.0000 -53.56747 -50.27643 3.29104 2.48470 -50.12645 1198.61822
2200.0000 -54.44994 -50.96206 3.48788 2.42366 -50.63436 1075.12234
2205.0000 -53.61385 -49.71600 3.89785 2.47420 -50.21385 1124.68090
2210.0000 -52.60416 -48.27736 4.32679 2.61339 -49.05568 1225.95121
2215.0000 -52.51231 -47.64545 4.86686 2.77998 -47.66964 1467.69494
2220.0000 -53.32230 -50.32293 2.99937 2.64793 -48.76830 1386.96579
2225.0000 -54.22949 -50.78850 3.44099 2.54662 -49.61131 1207.16398
2230.0000 -53.68129 -50.48487 3.19642 2.49417 -50.04771 1161.57651
2235.0000 -54.20474 -50.59656 3.60818 2.47355 -50.21923 1062.63390
2240.0000 -53.04059 -49.35494 3.68565 2.48821 -50.09723 1119.19452
2245.0000 -53.77831 -50.72506 3.05324 2.52513 -49.79007 1120.84895
2250.0000 -53.56940 -50.39310 3.17630 2.41860 -50.67643 1015.80637
FREEZING PROCESS: loop number 10 T-loop= 1083.0000000000000
main_MD> interactions number 10 at Temperature= 1083.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.93870 -1.38665 -2.22746
force_rgl> df(natom) -2.54258 -2.36472 -0.23216
2255.0000 -53.84739 -50.92289 2.92450 2.41787 -50.68253 1070.82822
2260.0000 -54.38860 -51.18818 3.20042 2.37651 -51.02661 1060.80284
2265.0000 -54.15472 -50.99030 3.16443 2.35716 -51.18766 978.64535
2270.0000 -53.56282 -49.58281 3.98001 2.45692 -50.35762 1041.18235
2275.0000 -54.53125 -51.16159 3.36966 2.38807 -50.93042 1094.14455
2280.0000 -55.29660 -52.09988 3.19672 2.30002 -51.66308 990.67637
2285.0000 -54.47954 -51.27370 3.20584 2.29240 -51.72645 972.31141
2290.0000 -54.57175 -50.95457 3.61719 2.32906 -51.42148 980.77948
2295.0000 -55.26589 -51.90750 3.35840 2.32872 -51.42426 1013.83097
2300.0000 -53.39744 -50.71524 2.68220 2.32392 -51.46424 982.62925
2305.0000 -53.59496 -51.26849 2.32646 2.43209 -50.56416 1063.88339
2310.0000 -54.91931 -51.22285 3.69646 2.43285 -50.55791 1127.61098
2315.0000 -53.36109 -50.57904 2.78205 2.38972 -50.91676 1030.23776
2320.0000 -53.76365 -50.83420 2.92946 2.44623 -50.44653 1059.51433
2325.0000 -55.27796 -51.81603 3.46193 2.40077 -50.82479 1085.92217
2330.0000 -54.39351 -51.84737 2.54613 2.24307 -52.13687 982.62932
2335.0000 -54.85263 -52.37723 2.47540 2.28314 -51.80349 996.09598
2340.0000 -53.77291 -51.07318 2.69972 2.28537 -51.78498 918.09142
2345.0000 -54.72796 -51.31113 3.41682 2.38612 -50.94665 1039.55499
2350.0000 -53.60136 -49.79601 3.80535 2.47802 -50.18202 1135.67339
2355.0000 -53.27512 -49.62563 3.64949 2.54170 -49.65224 1283.30515
2360.0000 -53.40991 -50.65293 2.75698 2.44063 -50.49318 1069.23714
2365.0000 -53.42227 -50.38893 3.03334 2.45532 -50.37094 1137.07204
2370.0000 -54.14603 -50.64542 3.50061 2.37564 -51.03391 1018.22636
2375.0000 -53.20509 -49.15787 4.04722 2.50042 -49.99563 1152.25944
2380.0000 -53.73756 -50.77478 2.96278 2.54220 -49.64806 1181.58112
2385.0000 -53.61352 -50.88894 2.72458 2.43124 -50.57129 1122.72065
2390.0000 -55.73146 -52.31305 3.41841 2.39144 -50.90238 1022.36456
2395.0000 -54.36013 -50.75865 3.60147 2.33879 -51.34045 1016.66298
2400.0000 -54.86609 -52.31243 2.55366 2.26810 -51.92867 932.36395
2405.0000 -53.21144 -49.24715 3.96428 2.32427 -51.46131 937.03291
2410.0000 -53.96832 -49.18000 4.78832 2.55248 -49.56249 1203.00516
2415.0000 -55.26045 -52.17776 3.08268 2.37225 -51.06204 1109.56561
2420.0000 -53.58636 -49.95819 3.62817 2.27209 -51.89541 977.30043
2425.0000 -54.48754 -51.30948 3.17807 2.39755 -50.85157 1034.32703
2430.0000 -53.83438 -49.80510 4.02928 2.49050 -50.07821 1125.96187
2435.0000 -54.20720 -50.75733 3.44988 2.44866 -50.42633 1119.78064
2440.0000 -52.77126 -49.03555 3.73571 2.45874 -50.34249 1087.27326
2445.0000 -52.25120 -48.98585 3.26536 2.58013 -49.33247 1197.44912
2450.0000 -53.57560 -50.42226 3.15335 2.52606 -49.78231 1236.58569
2455.0000 -54.73739 -50.83495 3.90244 2.44948 -50.41950 1099.78707
2460.0000 -54.89864 -50.96127 3.93737 2.39755 -50.85155 981.17575
2465.0000 -53.73832 -49.86441 3.87391 2.47836 -50.17919 1116.63052
2470.0000 -53.45603 -49.10670 4.34933 2.52816 -49.76482 1137.58314
2475.0000 -52.83668 -49.55379 3.28289 2.60320 -49.14048 1215.96635
2480.0000 -52.68503 -50.01361 2.67143 2.62588 -48.95178 1192.63443
2485.0000 -53.46552 -50.65122 2.81430 2.45744 -50.35330 1030.54727
2490.0000 -53.85520 -51.06052 2.79469 2.38180 -50.98262 1000.78133
2495.0000 -54.23233 -51.13279 3.09954 2.47972 -50.16786 1187.48457
2500.0000 -53.89371 -50.77637 3.11734 2.37965 -51.00048 1005.75487
FREEZING PROCESS: loop number 11 T-loop= 1058.0000000000000
main_MD> interactions number 11 at Temperature= 1058.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.31446 -2.18135 0.61466
force_rgl> df(natom) -4.72421 4.50398 -2.68933
2505.0000 -54.19888 -51.00057 3.19831 2.43284 -50.55798 1079.27294
2510.0000 -54.73066 -52.04603 2.68463 2.38232 -50.97831 1053.65935
2515.0000 -54.56893 -50.64273 3.92620 2.38035 -50.99466 991.93398
2520.0000 -55.04967 -51.97372 3.07594 2.33762 -51.35026 1020.98112
2525.0000 -54.24437 -50.69508 3.54929 2.36294 -51.13952 1028.04307
2530.0000 -54.56440 -51.07139 3.49301 2.44151 -50.48578 1096.00861
2535.0000 -53.83137 -50.87180 2.95957 2.39378 -50.88295 1062.63395
2540.0000 -53.57076 -50.48034 3.09042 2.42348 -50.63581 1052.88728
2545.0000 -53.65973 -50.68715 2.97258 2.43615 -50.53043 1026.23494
2550.0000 -54.31349 -51.29718 3.01631 2.36738 -51.10265 1025.19380
2555.0000 -54.81164 -52.11201 2.69964 2.31343 -51.55147 968.35428
2560.0000 -54.40167 -51.24011 3.16156 2.25252 -52.05829 912.83183
2565.0000 -55.04351 -52.08986 2.95365 2.31662 -51.52494 981.95053
2570.0000 -54.30274 -51.64672 2.65602 2.30547 -51.61772 989.61047
2575.0000 -55.41743 -52.48584 2.93159 2.23751 -52.18316 876.65168
2580.0000 -55.35693 -51.70841 3.64852 2.26664 -51.94080 946.75277
2585.0000 -54.37706 -51.52325 2.85381 2.34067 -51.32485 1049.61563
2590.0000 -54.75585 -52.13974 2.61612 2.34335 -51.30253 1008.79935
2595.0000 -54.02361 -50.71821 3.30540 2.34607 -51.27989 991.16073
2600.0000 -54.12325 -50.31740 3.80585 2.43300 -50.55666 1095.80235
2605.0000 -53.94630 -50.98704 2.95926 2.45542 -50.37005 1106.88740
2610.0000 -54.52627 -51.60371 2.92257 2.35084 -51.24018 1057.33452
2615.0000 -54.28003 -51.57911 2.70092 2.35697 -51.18926 1006.82681
2620.0000 -55.45970 -52.48221 2.97749 2.29667 -51.69091 989.79510
2625.0000 -53.73719 -50.22466 3.51252 2.37521 -51.03743 1071.05219
2630.0000 -54.30106 -51.49379 2.80727 2.40638 -50.77809 1075.13902
2635.0000 -54.92316 -51.80137 3.12179 2.36242 -51.14384 1041.58602
2640.0000 -53.02682 -50.20822 2.81860 2.43784 -50.51634 1051.75626
2645.0000 -54.06527 -50.66692 3.39836 2.42908 -50.58920 1124.10647
2650.0000 -54.72029 -51.56126 3.15902 2.36091 -51.15645 999.36523
2655.0000 -53.99511 -50.74440 3.25070 2.34850 -51.25967 911.66443
2660.0000 -54.60185 -50.73192 3.86994 2.45151 -50.40261 1105.59649
2665.0000 -54.83152 -51.56239 3.26914 2.32017 -51.49544 990.64113
2670.0000 -53.92918 -50.39679 3.53239 2.40297 -50.80649 1043.09567
2675.0000 -54.66930 -50.98664 3.68266 2.38913 -50.92164 1005.11444
2680.0000 -53.98910 -50.80877 3.18033 2.33782 -51.34859 962.82059
2685.0000 -53.12456 -50.32017 2.80439 2.42333 -50.63711 1034.43570
2690.0000 -53.83416 -49.87534 3.95883 2.39723 -50.85421 1034.61860
2695.0000 -54.24548 -50.37795 3.86753 2.46528 -50.28804 1156.80534
2700.0000 -52.48344 -49.81033 2.67311 2.49820 -50.01416 1137.77258
2705.0000 -54.21897 -50.91101 3.30796 2.48280 -50.14228 1125.12538
2710.0000 -54.58435 -50.83279 3.75156 2.38949 -50.91864 1037.37256
2715.0000 -54.59247 -50.75987 3.83259 2.39111 -50.90514 1060.03079
2720.0000 -55.77196 -52.49683 3.27512 2.28312 -51.80367 972.08386
2725.0000 -55.49579 -52.14282 3.35298 2.23910 -52.16994 900.96945
2730.0000 -54.17623 -50.62147 3.55477 2.30971 -51.58241 981.54910
2735.0000 -53.74567 -50.19201 3.55366 2.40918 -50.75484 1038.89342
2740.0000 -52.95280 -50.36800 2.58480 2.49656 -50.02778 1130.72136
2745.0000 -53.81944 -50.12572 3.69372 2.45711 -50.35602 1052.81879
2750.0000 -55.38126 -53.02283 2.35844 2.36088 -51.15666 990.06944
FREEZING PROCESS: loop number 12 T-loop= 1033.0000000000000
main_MD> interactions number 12 at Temperature= 1033.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.10755 0.86692 0.36750
force_rgl> df(natom) -1.13919 0.16036 -0.43950
2755.0000 -54.78894 -50.76732 4.02162 2.24032 -52.15976 918.63965
2760.0000 -53.54292 -51.19404 2.34889 2.35467 -51.20832 995.93612
2765.0000 -52.42176 -49.36452 3.05724 2.53780 -49.68463 1148.81387
2770.0000 -53.40047 -49.66140 3.73907 2.56291 -49.47571 1184.78293
2775.0000 -54.23680 -50.74790 3.48890 2.49378 -50.05088 1136.70048
2780.0000 -54.22303 -50.54767 3.67536 2.44378 -50.46694 1101.73098
2785.0000 -53.95176 -50.90256 3.04920 2.36614 -51.11291 942.34122
2790.0000 -53.47935 -50.70461 2.77473 2.45604 -50.36491 1117.06007
2795.0000 -53.71665 -50.34113 3.37551 2.46406 -50.29818 1104.46003
2800.0000 -54.80761 -51.72289 3.08473 2.34970 -51.24968 987.95533
2805.0000 -54.84496 -52.35219 2.49277 2.26651 -51.94188 942.61616
2810.0000 -54.85655 -51.85472 3.00183 2.27138 -51.90137 921.80308
2815.0000 -55.26900 -52.24988 3.01912 2.23463 -52.20709 874.17552
2820.0000 -54.09519 -51.97179 2.12340 2.34204 -51.31342 987.22898
2825.0000 -54.48438 -50.99464 3.48974 2.37015 -51.07958 1006.14320
2830.0000 -55.27599 -51.45298 3.82301 2.32533 -51.45243 1043.74157
2835.0000 -54.05273 -50.71847 3.33425 2.31178 -51.56523 977.43181
2840.0000 -54.73543 -51.71254 3.02289 2.36310 -51.13825 998.14510
2845.0000 -54.04022 -50.73307 3.30715 2.34799 -51.26391 1005.59789
2850.0000 -53.27847 -49.82091 3.45756 2.48356 -50.13598 1135.69808
2855.0000 -53.74991 -50.92108 2.82883 2.46796 -50.26571 1105.77460
2860.0000 -53.42276 -49.84687 3.57589 2.46970 -50.25125 1158.97503
2865.0000 -52.90121 -49.29438 3.60683 2.52868 -49.76053 1086.62905
2870.0000 -53.89202 -49.92999 3.96204 2.56046 -49.49615 1243.12100
2875.0000 -53.85933 -50.57524 3.28410 2.48066 -50.16005 1022.99615
2880.0000 -53.85219 -50.71927 3.13292 2.46813 -50.26429 1159.15606
2885.0000 -54.00709 -50.04931 3.95778 2.45094 -50.40736 1204.16471
2890.0000 -53.71810 -50.99730 2.72080 2.41663 -50.69283 1017.10062
2895.0000 -53.77180 -50.78409 2.98771 2.36033 -51.16123 976.38686
2900.0000 -54.39391 -51.47018 2.92374 2.39889 -50.84044 959.92457
2905.0000 -55.00127 -52.17791 2.82336 2.26837 -51.92638 887.20010
2910.0000 -54.15111 -50.94880 3.20231 2.37043 -51.07723 1003.32123
2915.0000 -55.13611 -51.43039 3.70572 2.34342 -51.30195 966.71325
2920.0000 -55.49669 -52.49271 3.00398 2.27951 -51.83375 922.76159
2925.0000 -53.39217 -50.23887 3.15330 2.33064 -51.40828 992.73095
2930.0000 -52.64236 -49.19377 3.44859 2.47068 -50.24308 1081.19646
2935.0000 -53.46280 -49.65317 3.80963 2.56369 -49.46921 1190.81704
2940.0000 -53.80292 -50.24498 3.55794 2.47542 -50.20366 1143.38530
2945.0000 -54.15335 -51.13844 3.01492 2.36746 -51.10197 1047.47464
2950.0000 -54.10291 -50.52698 3.57594 2.47584 -50.20019 1201.92998
2955.0000 -55.34717 -52.32661 3.02056 2.33002 -51.41347 1013.56269
2960.0000 -54.61581 -51.87259 2.74322 2.27018 -51.91136 886.33933
2965.0000 -55.10119 -52.09079 3.01040 2.25644 -52.02565 909.94620
2970.0000 -54.39929 -50.72458 3.67471 2.36307 -51.13847 992.89790
2975.0000 -54.63208 -51.18096 3.45112 2.41657 -50.69331 1091.60181
2980.0000 -53.06438 -50.12470 2.93968 2.40068 -50.82554 1001.30842
2985.0000 -54.18993 -51.55485 2.63508 2.37025 -51.07870 1001.18495
2990.0000 -53.87515 -50.64967 3.22548 2.39462 -50.87599 1056.19907
2995.0000 -54.47769 -50.51171 3.96598 2.43397 -50.54852 1129.23585
3000.0000 -54.45884 -51.23836 3.22048 2.35873 -51.17454 1014.51171
FREEZING PROCESS: loop number 13 T-loop= 1008.0000000000000
main_MD> interactions number 13 at Temperature= 1008.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46175 -2.91328 -0.20502
force_rgl> df(natom) 1.24415 -1.04374 1.25853
3005.0000 -54.88911 -52.42758 2.46153 2.29886 -51.67272 998.33752
3010.0000 -54.04460 -51.01821 3.02640 2.34938 -51.25237 1007.07143
3015.0000 -54.75932 -51.35540 3.40391 2.39148 -50.90207 1041.96809
3020.0000 -54.76397 -50.96396 3.80001 2.32578 -51.44875 1058.91339
3025.0000 -54.37103 -51.19783 3.17320 2.32555 -51.45066 987.11252
3030.0000 -53.99467 -51.30630 2.68837 2.38457 -50.95961 988.56931
3035.0000 -55.38560 -51.72429 3.66131 2.30487 -51.62271 930.59206
3040.0000 -55.13063 -52.04577 3.08486 2.25261 -52.05750 944.92769
3045.0000 -54.37731 -51.15627 3.22104 2.28858 -51.75828 918.40845
3050.0000 -54.51560 -50.90433 3.61126 2.32472 -51.45756 1017.22423
3055.0000 -55.18194 -52.04106 3.14088 2.34417 -51.29568 977.93218
3060.0000 -54.29805 -51.30112 2.99693 2.31164 -51.56636 930.97336
3065.0000 -54.51569 -50.57959 3.93610 2.36845 -51.09371 1055.65781
3070.0000 -54.20450 -51.19080 3.01369 2.38660 -50.94267 1022.68277
3075.0000 -52.96888 -49.47774 3.49114 2.44537 -50.45366 1075.50350
3080.0000 -54.39646 -51.95031 2.44615 2.37709 -51.02178 931.80694
3085.0000 -54.29730 -50.78319 3.51411 2.30614 -51.61214 955.64728
3090.0000 -54.00875 -50.28914 3.71960 2.40532 -50.78694 1055.81510
3095.0000 -53.81790 -51.42743 2.39047 2.39808 -50.84720 1064.16654
3100.0000 -54.04530 -50.48648 3.55881 2.33314 -51.38751 1009.28797
3105.0000 -54.32787 -50.89142 3.43645 2.39438 -50.87799 1053.60243
3110.0000 -53.99756 -50.70347 3.29409 2.39833 -50.84513 1002.91502
3115.0000 -53.48174 -50.11929 3.36245 2.45094 -50.40740 1066.17584
3120.0000 -53.80895 -51.21716 2.59179 2.46821 -50.26365 1125.43796
3125.0000 -54.12590 -51.04328 3.08262 2.36663 -51.10884 1041.85004
3130.0000 -54.07267 -51.11572 2.95695 2.33933 -51.33598 982.93763
3135.0000 -54.09847 -51.32460 2.77386 2.33150 -51.40111 936.42310
3140.0000 -54.53656 -51.73000 2.80656 2.33330 -51.38620 962.01148
3145.0000 -54.95304 -52.01617 2.93687 2.28518 -51.78653 930.22279
3150.0000 -54.74916 -51.59932 3.14984 2.30179 -51.64836 977.73026
3155.0000 -54.18577 -51.33689 2.84888 2.37239 -51.06091 1003.63884
3160.0000 -55.52988 -52.82671 2.70316 2.25628 -52.02703 853.02020
3165.0000 -55.11401 -52.33229 2.78172 2.19789 -52.51286 886.39514
3170.0000 -55.55000 -52.11626 3.43374 2.24174 -52.14798 920.03086
3175.0000 -54.38024 -52.57677 1.80347 2.24745 -52.10046 902.74512
3180.0000 -54.42179 -51.58204 2.83975 2.24094 -52.15463 873.60012
3185.0000 -54.46944 -51.34236 3.12708 2.33075 -51.40738 986.96156
3190.0000 -54.80984 -52.86157 1.94826 2.20448 -52.45796 862.67786
3195.0000 -53.97811 -51.12056 2.85755 2.21970 -52.33138 803.38285
3200.0000 -53.65306 -51.42465 2.22842 2.35319 -51.22068 1003.17170
3205.0000 -54.22552 -51.77762 2.44790 2.32649 -51.44282 963.67857
3210.0000 -55.15928 -52.86059 2.29869 2.27311 -51.88698 925.55417
3215.0000 -55.16238 -51.60795 3.55443 2.28492 -51.78867 956.96453
3220.0000 -54.95566 -52.41804 2.53763 2.24466 -52.12365 859.04473
3225.0000 -55.64239 -52.77811 2.86429 2.20914 -52.41919 776.54286
3230.0000 -54.78713 -51.53953 3.24759 2.30115 -51.65365 907.67600
3235.0000 -54.74750 -52.18290 2.56460 2.33780 -51.34873 907.06735
3240.0000 -54.50133 -52.49848 2.00285 2.17927 -52.66777 844.56691
3245.0000 -55.19265 -52.74408 2.44856 2.19465 -52.53975 826.20831
3250.0000 -54.44352 -51.09739 3.34613 2.28538 -51.78486 905.14794
FREEZING PROCESS: loop number 14 T-loop= 983.00000000000000
main_MD> interactions number 14 at Temperature= 983.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.60960 -0.35273 -2.23029
force_rgl> df(natom) -0.15387 -0.90442 -1.23046
3255.0000 -54.41270 -52.06240 2.35030 2.32315 -51.47063 958.02226
3260.0000 -55.04314 -53.48615 1.55699 2.15609 -52.86058 818.33327
3265.0000 -54.75996 -52.05212 2.70784 2.17977 -52.66362 851.72690
3270.0000 -54.81603 -52.31622 2.49982 2.26603 -51.94587 929.80116
3275.0000 -53.74708 -51.08735 2.65974 2.23222 -52.22714 852.80672
3280.0000 -54.46484 -51.55920 2.90563 2.34143 -51.31854 985.37060
3285.0000 -54.83089 -52.19277 2.63812 2.28099 -51.82140 927.41739
3290.0000 -54.40358 -51.63725 2.76633 2.26125 -51.98564 912.02803
3295.0000 -54.30915 -51.89131 2.41785 2.28511 -51.78709 900.89673
3300.0000 -54.71100 -50.93498 3.77602 2.32801 -51.43017 992.18625
3305.0000 -54.56396 -51.23862 3.32534 2.41192 -50.73198 1051.05269
3310.0000 -54.23064 -51.41755 2.81309 2.36862 -51.09225 994.33928
3315.0000 -54.34401 -51.54319 2.80082 2.34403 -51.29692 957.19548
3320.0000 -55.08430 -52.60367 2.48063 2.25198 -52.06274 932.26783
3325.0000 -54.60461 -51.62831 2.97630 2.22671 -52.27305 836.73241
3330.0000 -53.71601 -51.11857 2.59744 2.37248 -51.06013 1026.68233
3335.0000 -53.99688 -50.86317 3.13371 2.38183 -50.98240 1032.51611
3340.0000 -54.63709 -52.09522 2.54187 2.31225 -51.56134 950.03156
3345.0000 -55.88612 -53.31472 2.57139 2.26202 -51.97920 901.32918
3350.0000 -54.42206 -51.76445 2.65762 2.20178 -52.48043 853.74980
3355.0000 -55.34513 -52.28149 3.06364 2.21208 -52.39478 891.87538
3360.0000 -55.13191 -52.74013 2.39178 2.19927 -52.50132 897.54144
3365.0000 -55.62264 -52.30172 3.32092 2.19751 -52.51600 889.87521
3370.0000 -55.42673 -53.14025 2.28648 2.22143 -52.31699 907.20858
3375.0000 -53.24796 -49.80281 3.44515 2.29468 -51.70748 922.53143
3380.0000 -54.40162 -50.20988 4.19174 2.45516 -50.37226 1069.09474
3385.0000 -53.54554 -50.58903 2.95651 2.40000 -50.83120 966.64689
3390.0000 -54.11157 -50.20836 3.90321 2.43154 -50.56875 1085.61745
3395.0000 -54.97293 -51.90591 3.06702 2.42409 -50.63076 1014.29047
3400.0000 -54.46421 -50.89095 3.57326 2.37249 -51.06009 972.71767
3405.0000 -53.00037 -50.28396 2.71642 2.47704 -50.19023 1128.39006
3410.0000 -54.08086 -50.44232 3.63854 2.50709 -49.94018 1087.06562
3415.0000 -53.44879 -50.47322 2.97557 2.38881 -50.92430 1012.23062
3420.0000 -54.37388 -51.77649 2.59739 2.37400 -51.04752 1028.28339
3425.0000 -54.05040 -50.86250 3.18790 2.29710 -51.68739 949.33203
3430.0000 -54.44392 -50.91065 3.53327 2.42850 -50.59411 1040.66464
3435.0000 -54.68608 -51.07856 3.60752 2.42737 -50.60343 1082.05136
3440.0000 -54.62814 -51.47744 3.15070 2.29861 -51.67483 973.85379
3445.0000 -54.82207 -51.11640 3.70568 2.40470 -50.79206 1109.24754
3450.0000 -55.11406 -52.25501 2.85905 2.33002 -51.41346 964.50485
3455.0000 -54.28409 -50.98360 3.30049 2.27976 -51.83165 928.92540
3460.0000 -54.92517 -52.16163 2.76353 2.33934 -51.33592 999.32948
3465.0000 -55.02208 -52.51824 2.50384 2.18791 -52.59587 879.31289
3470.0000 -54.34309 -50.68343 3.65966 2.34900 -51.25556 1034.46937
3475.0000 -54.48724 -50.63924 3.84799 2.30252 -51.64224 962.51692
3480.0000 -54.07352 -51.15205 2.92147 2.36483 -51.12378 1013.70215
3485.0000 -54.88363 -51.41983 3.46380 2.33963 -51.33347 993.38430
3490.0000 -54.16937 -51.62490 2.54447 2.27284 -51.88920 895.71516
3495.0000 -54.46440 -52.12500 2.33940 2.27401 -51.87952 933.50966
3500.0000 -54.32486 -51.68188 2.64297 2.29298 -51.72162 929.48658
FREEZING PROCESS: loop number 15 T-loop= 958.00000000000000
main_MD> interactions number 15 at Temperature= 958.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.19092 2.38585 -3.71236
force_rgl> df(natom) -1.64156 0.31984 1.33467
3505.0000 -54.64750 -51.10759 3.53991 2.34698 -51.27238 1016.22885
3510.0000 -54.04611 -51.10087 2.94524 2.35604 -51.19692 1029.07039
3515.0000 -54.52699 -52.02299 2.50400 2.33329 -51.38626 979.68834
3520.0000 -52.98063 -50.79611 2.18452 2.37610 -51.03002 1034.08636
3525.0000 -53.26475 -50.23775 3.02700 2.42176 -50.65014 1014.76996
3530.0000 -53.13510 -49.79224 3.34286 2.55132 -49.57215 1190.87477
3535.0000 -54.17435 -50.94183 3.23252 2.39787 -50.84895 1012.77703
3540.0000 -53.61645 -50.50558 3.11088 2.40492 -50.79027 1059.70320
3545.0000 -54.92263 -51.15327 3.76936 2.43322 -50.55477 1072.59162
3550.0000 -55.30294 -52.33274 2.97020 2.26012 -51.99503 925.11153
3555.0000 -55.62826 -53.30980 2.31846 2.22221 -52.31048 891.59290
3560.0000 -54.08623 -51.68242 2.40381 2.20745 -52.43330 869.06075
3565.0000 -55.20632 -52.80931 2.39701 2.27440 -51.87622 928.77640
3570.0000 -55.07866 -51.66573 3.41293 2.25264 -52.05730 939.99153
3575.0000 -54.93597 -51.21575 3.72021 2.32426 -51.46136 960.20839
3580.0000 -54.37222 -51.34719 3.02503 2.35789 -51.18158 1017.18510
3585.0000 -54.59865 -51.49005 3.10860 2.37171 -51.06657 1035.92173
3590.0000 -54.36677 -51.60215 2.76462 2.29381 -51.71469 1005.06326
3595.0000 -52.81956 -49.50961 3.30995 2.48928 -50.08833 1149.38329
3600.0000 -53.18394 -51.03781 2.14613 2.48984 -50.08374 1114.57845
3605.0000 -54.53918 -51.50406 3.03511 2.34958 -51.25071 980.10757
3610.0000 -55.02333 -52.46204 2.56130 2.22965 -52.24854 850.46292
3615.0000 -55.10067 -52.87918 2.22149 2.20252 -52.47429 862.52064
3620.0000 -55.11821 -51.64089 3.47732 2.24540 -52.11750 848.29658
3625.0000 -54.72914 -52.31569 2.41345 2.26908 -51.92051 929.45640
3630.0000 -55.44333 -52.43148 3.01185 2.24147 -52.15025 895.43017
3635.0000 -54.85702 -51.87730 2.97972 2.22514 -52.28605 879.50727
3640.0000 -55.15582 -52.53476 2.62106 2.26539 -51.95123 911.22806
3645.0000 -55.32639 -51.82329 3.50310 2.19319 -52.55195 885.16713
3650.0000 -54.60272 -52.39975 2.20297 2.22477 -52.28919 870.33295
3655.0000 -53.83258 -50.48379 3.34879 2.32462 -51.45840 980.82553
3660.0000 -53.79637 -50.50118 3.29519 2.35641 -51.19384 1044.64357
3665.0000 -55.34920 -52.27592 3.07327 2.30713 -51.60393 970.41686
3670.0000 -55.20877 -52.15645 3.05232 2.24684 -52.10558 922.52285
3675.0000 -55.74161 -52.45578 3.28583 2.17388 -52.71255 838.71643
3680.0000 -55.02614 -52.97055 2.05558 2.16533 -52.78375 849.27891
3685.0000 -55.32152 -51.61406 3.70746 2.24541 -52.11745 882.41280
3690.0000 -55.76185 -52.69913 3.06272 2.21830 -52.34303 923.18366
3695.0000 -54.01466 -51.58531 2.42935 2.23203 -52.22875 948.05939
3700.0000 -54.50669 -51.97635 2.53033 2.29714 -51.68700 975.39361
3705.0000 -54.80939 -51.43284 3.37655 2.28179 -51.81474 939.18121
3710.0000 -55.27508 -51.90387 3.37121 2.30227 -51.64432 1021.11355
3715.0000 -54.75418 -51.47149 3.28269 2.33857 -51.34228 1036.81287
3720.0000 -53.59492 -50.47720 3.11772 2.31683 -51.52324 1003.85481
3725.0000 -53.48559 -51.02651 2.45908 2.35929 -51.16991 1009.90471
3730.0000 -54.77231 -51.95195 2.82036 2.34806 -51.26331 967.18234
3735.0000 -54.62938 -51.25902 3.37037 2.36815 -51.09621 963.10876
3740.0000 -54.54068 -51.44311 3.09757 2.30050 -51.65906 944.77036
3745.0000 -54.34677 -50.80238 3.54439 2.37418 -51.04601 992.71938
3750.0000 -55.71050 -53.04169 2.66881 2.23209 -52.22826 923.37232
FREEZING PROCESS: loop number 16 T-loop= 933.00000000000000
main_MD> interactions number 16 at Temperature= 933.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.98879 -1.29355 0.12840
force_rgl> df(natom) 2.34757 0.30117 2.15170
3755.0000 -55.18035 -52.88230 2.29805 2.17264 -52.72287 844.71062
3760.0000 -54.21852 -51.93780 2.28072 2.24165 -52.14870 959.85441
3765.0000 -55.51402 -53.10329 2.41073 2.17355 -52.71531 841.77114
3770.0000 -55.83262 -52.98456 2.84806 2.18200 -52.64502 839.65836
3775.0000 -54.30517 -51.61310 2.69207 2.21574 -52.36429 863.67317
3780.0000 -53.93110 -52.00471 1.92639 2.24547 -52.11696 895.31005
3785.0000 -55.11765 -52.61606 2.50159 2.20154 -52.48242 877.76510
3790.0000 -55.21232 -51.65185 3.56047 2.29029 -51.74404 1014.63613
3795.0000 -55.10349 -52.07418 3.02931 2.35685 -51.19018 1047.72120
3800.0000 -55.08372 -51.88672 3.19700 2.25448 -52.04201 890.92454
3805.0000 -55.75658 -52.63563 3.12095 2.28646 -51.77588 1011.59076
3810.0000 -56.44814 -53.39034 3.05780 2.17545 -52.69949 865.54705
3815.0000 -55.38458 -52.87260 2.51198 2.16913 -52.75214 852.52118
3820.0000 -55.51809 -52.99408 2.52401 2.16451 -52.79059 816.48889
3825.0000 -55.63899 -52.73655 2.90245 2.13139 -53.06616 781.81951
3830.0000 -55.87294 -53.13131 2.74163 2.19068 -52.57281 898.08216
3835.0000 -54.55902 -51.47190 3.08712 2.19228 -52.55954 886.51661
3840.0000 -55.24542 -52.13764 3.10778 2.30660 -51.60835 907.07093
3845.0000 -54.97654 -52.44963 2.52691 2.25809 -52.01191 913.23748
3850.0000 -54.92527 -52.68830 2.23696 2.18838 -52.59191 856.31122
3855.0000 -54.96483 -52.24783 2.71700 2.21008 -52.41143 891.09350
3860.0000 -54.73656 -51.78537 2.95119 2.28664 -51.77435 991.53752
3865.0000 -53.23537 -50.26503 2.97034 2.34863 -51.25860 919.15542
3870.0000 -53.30095 -50.13467 3.16628 2.49821 -50.01403 1128.15071
3875.0000 -53.90007 -50.49139 3.40868 2.51860 -49.84437 1163.90133
3880.0000 -54.47688 -50.50073 3.97615 2.43647 -50.52774 1096.83585
3885.0000 -53.81616 -50.69650 3.11966 2.45633 -50.36255 1078.56468
3890.0000 -54.86575 -51.51590 3.34985 2.36207 -51.14677 1022.37482
3895.0000 -54.32986 -51.28605 3.04382 2.31561 -51.53337 961.96055
3900.0000 -53.47675 -50.20789 3.26886 2.32702 -51.43838 954.92203
3905.0000 -55.69632 -52.53811 3.15821 2.29126 -51.73594 919.20134
3910.0000 -55.32525 -51.32043 4.00482 2.31253 -51.55893 997.14491
3915.0000 -54.07776 -50.96636 3.11141 2.36220 -51.14570 1014.56784
3920.0000 -54.17206 -50.24077 3.93129 2.41641 -50.69469 1025.18040
3925.0000 -54.59023 -51.11114 3.47909 2.42172 -50.65046 1059.23792
3930.0000 -54.40756 -51.22807 3.17949 2.34848 -51.25988 1013.48525
3935.0000 -54.40539 -50.67823 3.72716 2.38261 -50.97587 1043.37763
3940.0000 -55.04885 -51.64352 3.40533 2.35059 -51.24230 1042.73977
3945.0000 -53.92178 -51.76685 2.15493 2.29421 -51.71142 892.47869
3950.0000 -54.82860 -52.10162 2.72698 2.29076 -51.74013 919.50350
3955.0000 -54.94658 -51.82962 3.11696 2.26608 -51.94542 958.53476
3960.0000 -54.51210 -51.89966 2.61244 2.28373 -51.79861 911.16669
3965.0000 -55.48924 -51.90725 3.58199 2.25954 -51.99991 979.26071
3970.0000 -54.65600 -52.37151 2.28449 2.21422 -52.37696 908.77868
3975.0000 -55.09820 -52.36810 2.73010 2.20213 -52.47751 894.33418
3980.0000 -54.30518 -51.30555 2.99963 2.30049 -51.65914 987.27423
3985.0000 -54.77338 -52.09453 2.67885 2.31197 -51.56367 966.77486
3990.0000 -54.46545 -51.58144 2.88400 2.29527 -51.70261 985.53762
3995.0000 -53.97665 -51.24974 2.72691 2.32898 -51.42214 983.25943
4000.0000 -54.07488 -51.94425 2.13063 2.30808 -51.59601 997.71085
FREEZING PROCESS: loop number 17 T-loop= 908.00000000000000
main_MD> interactions number 17 at Temperature= 908.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.39230 6.51928 -1.24822
force_rgl> df(natom) 0.73130 2.07347 3.00541
4005.0000 -55.00088 -51.95790 3.04298 2.22933 -52.25126 920.82465
4010.0000 -55.15161 -52.55252 2.59909 2.21620 -52.36047 876.31531
4015.0000 -55.10913 -51.91835 3.19078 2.18860 -52.59009 820.62249
4020.0000 -55.17000 -51.75074 3.41926 2.28542 -51.78454 943.20267
4025.0000 -54.70138 -52.01155 2.68983 2.27327 -51.88567 1010.52189
4030.0000 -55.44437 -52.08615 3.35822 2.24726 -52.10208 921.63211
4035.0000 -55.29344 -51.68170 3.61173 2.33498 -51.37216 1014.10151
4040.0000 -54.82549 -52.47082 2.35467 2.30718 -51.60352 953.47817
4045.0000 -55.21187 -51.69731 3.51456 2.26952 -51.91683 939.91484
4050.0000 -55.78576 -52.66540 3.12037 2.23276 -52.22269 933.91547
4055.0000 -54.18707 -51.43482 2.75225 2.26303 -51.97080 887.21682
4060.0000 -54.46990 -51.47493 2.99497 2.33242 -51.39346 1003.37576
4065.0000 -54.02623 -50.68467 3.34156 2.45926 -50.33809 1097.97837
4070.0000 -55.99518 -53.29385 2.70133 2.31580 -51.53174 1000.29101
4075.0000 -54.75314 -52.22982 2.52332 2.19021 -52.57674 813.02448
4080.0000 -55.06169 -52.26869 2.79299 2.19801 -52.51180 828.20347
4085.0000 -55.51278 -51.99948 3.51330 2.24392 -52.12979 907.43704
4090.0000 -53.94135 -51.32386 2.61749 2.30684 -51.60631 950.30509
4095.0000 -54.82719 -52.02627 2.80093 2.28011 -51.82869 900.90051
4100.0000 -55.01035 -52.38738 2.62297 2.22238 -52.30909 840.49332
4105.0000 -54.61467 -51.82501 2.78965 2.24161 -52.14906 902.53208
4110.0000 -54.39907 -51.69798 2.70108 2.26658 -51.94127 949.69746
4115.0000 -55.64531 -52.76647 2.87885 2.21623 -52.36024 842.37333
4120.0000 -54.18120 -51.47933 2.70187 2.21696 -52.35413 893.98070
4125.0000 -55.12798 -51.79787 3.33011 2.30591 -51.61408 950.65980
4130.0000 -55.49312 -53.02699 2.46613 2.17769 -52.68087 860.49902
4135.0000 -54.57626 -52.07794 2.49832 2.19842 -52.50843 869.86166
4140.0000 -55.17172 -52.40804 2.76368 2.22466 -52.29012 853.59374
4145.0000 -54.12115 -52.29725 1.82390 2.20724 -52.43502 827.07634
4150.0000 -55.15564 -51.78033 3.37530 2.22883 -52.25538 863.06037
4155.0000 -55.06922 -51.40675 3.66248 2.26972 -51.91521 959.40070
4160.0000 -55.35955 -53.39678 1.96277 2.25209 -52.06185 918.22623
4165.0000 -55.74334 -53.89145 1.85189 2.05440 -53.70669 750.81162
4170.0000 -56.13408 -53.77301 2.36107 2.04657 -53.77188 702.82595
4175.0000 -55.20349 -52.31473 2.88876 2.17625 -52.69283 849.87819
4180.0000 -54.82634 -52.12135 2.70499 2.20712 -52.43604 884.08668
4185.0000 -55.16690 -52.10491 3.06199 2.20996 -52.41239 867.50463
4190.0000 -54.31851 -51.84346 2.47504 2.24651 -52.10825 932.99453
4195.0000 -55.08648 -51.58273 3.50375 2.30454 -51.62544 926.40478
4200.0000 -54.26178 -50.79935 3.46244 2.33981 -51.33200 954.16905
4205.0000 -54.15079 -51.63912 2.51167 2.39627 -50.86226 1044.35098
4210.0000 -55.37794 -51.58024 3.79770 2.28780 -51.76475 997.96720
4215.0000 -53.84813 -51.34716 2.50097 2.34081 -51.32368 971.89531
4220.0000 -54.71883 -52.42469 2.29413 2.21676 -52.35579 855.03923
4225.0000 -55.56092 -53.31224 2.24868 2.16780 -52.76320 775.07699
4230.0000 -54.72414 -51.64015 3.08399 2.21956 -52.33255 868.73997
4235.0000 -53.80206 -50.07196 3.73010 2.34902 -51.25534 1017.70981
4240.0000 -53.23792 -49.70480 3.53312 2.45158 -50.40203 1080.62598
4245.0000 -54.38580 -51.25260 3.13320 2.52186 -49.81726 1125.65154
4250.0000 -54.59963 -50.76153 3.83810 2.37784 -51.01555 1065.25862
FREEZING PROCESS: loop number 18 T-loop= 883.00000000000000
main_MD> interactions number 18 at Temperature= 883.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.09063 -0.54832 3.47521
force_rgl> df(natom) 0.64797 -1.45603 1.16221
4255.0000 -55.19633 -52.35181 2.84452 2.34023 -51.32852 1028.84833
4260.0000 -55.02668 -52.17968 2.84699 2.29516 -51.70346 927.46617
4265.0000 -53.94265 -50.89060 3.05206 2.25230 -52.06012 907.26303
4270.0000 -54.20031 -51.52947 2.67084 2.31885 -51.50637 943.01445
4275.0000 -54.74209 -51.57242 3.16967 2.27574 -51.86506 915.52916
4280.0000 -55.97975 -53.44672 2.53303 2.17213 -52.72717 787.44517
4285.0000 -54.84073 -52.83324 2.00748 2.09409 -53.37649 762.24728
4290.0000 -54.63808 -51.74817 2.88991 2.18449 -52.62435 863.58350
4295.0000 -54.86068 -51.46781 3.39287 2.28888 -51.75572 943.73982
4300.0000 -54.97514 -51.55388 3.42126 2.31393 -51.54731 969.59896
4305.0000 -55.89803 -53.60541 2.29262 2.19508 -52.53623 885.32328
4310.0000 -55.75465 -52.93101 2.82364 2.09246 -53.39004 769.05133
4315.0000 -55.13690 -52.46331 2.67359 2.21609 -52.36142 876.85972
4320.0000 -55.75990 -53.41173 2.34817 2.25089 -52.07181 871.34712
4325.0000 -55.49089 -53.20235 2.28853 2.04742 -53.76481 738.15141
4330.0000 -55.65767 -52.72939 2.92828 2.12442 -53.12412 799.88266
4335.0000 -55.92291 -53.49256 2.43035 2.18836 -52.59211 835.34652
4340.0000 -54.11824 -51.45959 2.65865 2.21301 -52.38699 828.24666
4345.0000 -54.76860 -52.04759 2.72102 2.33958 -51.33394 956.18838
4350.0000 -55.05378 -52.19796 2.85583 2.25503 -52.03736 888.17438
4355.0000 -55.28842 -51.11911 4.16931 2.23096 -52.23770 873.53106
4360.0000 -55.48137 -52.41836 3.06301 2.31147 -51.56777 982.34073
4365.0000 -54.14173 -51.04724 3.09448 2.26683 -51.93924 927.82757
4370.0000 -54.06059 -50.88256 3.17803 2.40140 -50.81955 1020.46624
4375.0000 -54.69986 -52.26343 2.43644 2.26002 -51.99588 875.54652
4380.0000 -53.96866 -50.70147 3.26718 2.26451 -51.95848 876.75608
4385.0000 -54.03237 -51.07454 2.95783 2.38258 -50.97616 999.25277
4390.0000 -55.28188 -52.14200 3.13988 2.30061 -51.65817 975.37678
4395.0000 -55.41417 -52.54091 2.87326 2.18909 -52.58601 842.08377
4400.0000 -54.77692 -50.97421 3.80271 2.27259 -51.89127 943.88394
4405.0000 -55.48216 -52.84470 2.63745 2.23849 -52.17498 947.54460
4410.0000 -55.77335 -52.47590 3.29746 2.16513 -52.78537 846.36277
4415.0000 -55.89917 -53.35224 2.54693 2.12543 -53.11571 758.63788
4420.0000 -55.37706 -53.44617 1.93089 2.10055 -53.32275 753.21436
4425.0000 -54.93390 -52.57849 2.35541 2.11344 -53.21548 799.89648
4430.0000 -55.30326 -51.54306 3.76020 2.25541 -52.03424 944.10546
4435.0000 -55.01346 -52.33383 2.67963 2.29498 -51.70496 896.75647
4440.0000 -56.44868 -53.38554 3.06314 2.20025 -52.49320 902.43235
4445.0000 -55.52668 -52.62126 2.90542 2.12561 -53.11421 797.26486
4450.0000 -55.62940 -53.12120 2.50820 2.10257 -53.30593 806.09894
4455.0000 -55.14671 -52.81529 2.33142 2.09342 -53.38204 766.16957
4460.0000 -55.67441 -53.18078 2.49363 2.12356 -53.13128 804.64363
4465.0000 -53.61677 -51.27012 2.34665 2.22475 -52.28932 852.83543
4470.0000 -54.88858 -50.89918 3.98941 2.37661 -51.02584 1007.77945
4475.0000 -55.86391 -52.58670 3.27721 2.28129 -51.81892 967.06261
4480.0000 -54.88074 -52.43928 2.44146 2.22137 -52.31749 888.87555
4485.0000 -54.91203 -52.53458 2.37745 2.20771 -52.43110 888.74139
4490.0000 -54.21925 -51.24584 2.97341 2.27776 -51.84826 946.69304
4495.0000 -54.41765 -51.15643 3.26121 2.33745 -51.35159 1005.67167
4500.0000 -54.87332 -51.70498 3.16834 2.34371 -51.29956 1038.88483
FREEZING PROCESS: loop number 19 T-loop= 858.00000000000000
main_MD> interactions number 19 at Temperature= 858.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.89931 2.17914 -5.35642
force_rgl> df(natom) -4.71285 2.35099 1.47401
4505.0000 -55.16029 -51.72943 3.43086 2.30348 -51.63431 976.89363
4510.0000 -54.78556 -51.22773 3.55784 2.35646 -51.19346 998.89833
4515.0000 -54.11061 -52.60246 1.50815 2.23259 -52.22411 909.99435
4520.0000 -56.05507 -53.56140 2.49367 2.10790 -53.26157 771.06641
4525.0000 -55.84901 -52.92676 2.92226 2.05414 -53.70888 742.55095
4530.0000 -56.18010 -53.49985 2.68025 2.11643 -53.19057 795.34121
4535.0000 -56.60575 -53.92608 2.67967 2.07674 -53.52085 752.08650
4540.0000 -55.66029 -53.34278 2.31751 2.09259 -53.38895 780.93646
4545.0000 -54.97099 -52.62205 2.34894 2.14199 -52.97793 812.88168
4550.0000 -55.99068 -52.88759 3.10309 2.09385 -53.37846 788.97463
4555.0000 -55.43981 -53.57793 1.86187 2.10500 -53.28568 747.59641
4560.0000 -55.64846 -52.59291 3.05555 2.12604 -53.11063 778.45100
4565.0000 -55.77056 -53.27784 2.49271 2.06779 -53.59528 747.67106
4570.0000 -54.83245 -52.11908 2.71336 2.16650 -52.77401 854.73239
4575.0000 -55.02285 -52.56167 2.46118 2.20826 -52.42654 846.88151
4580.0000 -55.70137 -52.28903 3.41234 2.18750 -52.59926 837.84223
4585.0000 -54.45993 -50.98747 3.47246 2.31715 -51.52052 1033.25416
4590.0000 -55.08951 -52.36848 2.72102 2.37463 -51.04231 1006.41722
4595.0000 -55.63864 -53.13311 2.50553 2.16312 -52.80215 781.15714
4600.0000 -54.91725 -52.93703 1.98022 2.17901 -52.66993 834.16248
4605.0000 -55.60649 -53.27041 2.33608 2.09969 -53.32984 713.66752
4610.0000 -55.46009 -53.14997 2.31011 2.15028 -52.90892 810.25197
4615.0000 -55.70383 -53.79592 1.90791 2.07011 -53.57599 753.31964
4620.0000 -55.61779 -53.40848 2.20931 2.05735 -53.68212 751.15829
4625.0000 -55.16434 -53.31598 1.84836 2.13012 -53.07666 787.15569
4630.0000 -55.83413 -53.23437 2.59976 2.14964 -52.91428 821.54779
4635.0000 -55.91595 -53.68485 2.23110 2.04945 -53.74787 701.49858
4640.0000 -55.43110 -53.14331 2.28779 2.08046 -53.48992 764.66862
4645.0000 -54.80673 -51.98856 2.81816 2.21569 -52.36474 852.73203
4650.0000 -54.13246 -50.91136 3.22110 2.32758 -51.43377 986.21633
4655.0000 -54.44787 -51.47033 2.97754 2.33009 -51.41285 1001.93618
4660.0000 -55.51122 -52.77218 2.73903 2.25444 -52.04232 917.69588
4665.0000 -55.11537 -52.35700 2.75837 2.20599 -52.44545 855.81189
4670.0000 -54.45192 -51.59916 2.85276 2.21008 -52.41138 846.45541
4675.0000 -55.40970 -52.57730 2.83240 2.20762 -52.43186 849.13840
4680.0000 -55.78222 -53.65024 2.13198 2.12568 -53.11364 763.54386
4685.0000 -54.82715 -52.34452 2.48263 2.15359 -52.88144 794.67084
4690.0000 -55.61608 -53.98789 1.62819 2.12079 -53.15434 797.06844
4695.0000 -55.63525 -53.36938 2.26587 2.02364 -53.96262 688.01195
4700.0000 -54.97155 -52.77308 2.19847 2.15321 -52.88459 812.60189
4705.0000 -55.12243 -52.95001 2.17242 2.17795 -52.67871 851.48737
4710.0000 -55.58409 -53.05616 2.52793 2.10464 -53.28869 781.17867
4715.0000 -55.23433 -52.83418 2.40014 2.16503 -52.78625 787.40828
4720.0000 -56.04505 -52.97687 3.06818 2.17000 -52.74484 860.92735
4725.0000 -53.54879 -51.46287 2.08591 2.27323 -51.88600 919.10852
4730.0000 -54.25935 -50.53642 3.72294 2.40059 -50.82626 1051.44747
4735.0000 -54.74066 -51.56683 3.17384 2.33944 -51.33511 1010.57992
4740.0000 -55.70967 -53.21468 2.49499 2.16028 -52.82578 830.16688
4745.0000 -55.15312 -53.49769 1.65543 2.07761 -53.51356 713.78140
4750.0000 -54.52324 -51.55624 2.96700 2.20559 -52.44872 805.27694
FREEZING PROCESS: loop number 20 T-loop= 833.00000000000000
main_MD> interactions number 20 at Temperature= 833.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.98043 0.35365 2.62495
force_rgl> df(natom) -1.94161 1.55973 1.47014
4755.0000 -53.39480 -50.82375 2.57105 2.27014 -51.91171 906.45755
4760.0000 -54.93558 -51.45857 3.47701 2.36216 -51.14600 945.47644
4765.0000 -54.33054 -51.74919 2.58135 2.26833 -51.92671 829.46579
4770.0000 -55.26707 -52.46524 2.80184 2.22105 -52.32009 865.21774
4775.0000 -55.99565 -53.32452 2.67112 2.11587 -53.19527 744.49007
4780.0000 -54.81556 -51.36742 3.44814 2.23110 -52.23647 900.57631
4785.0000 -55.80587 -52.64811 3.15777 2.23849 -52.17503 957.79518
4790.0000 -55.11985 -52.62937 2.49048 2.16301 -52.80303 842.10171
4795.0000 -56.09113 -53.36551 2.72562 2.16248 -52.80747 843.64491
4800.0000 -55.93727 -53.52382 2.41345 2.10106 -53.31846 808.03455
4805.0000 -55.18097 -53.02815 2.15281 2.17256 -52.72357 828.83435
4810.0000 -55.82620 -53.73366 2.09254 2.10882 -53.25391 775.91476
4815.0000 -55.75485 -52.17671 3.57815 2.07814 -53.50918 705.44892
4820.0000 -54.18670 -50.93417 3.25254 2.30066 -51.65776 948.80923
4825.0000 -55.81400 -52.17308 3.64092 2.32950 -51.41778 1040.93000
4830.0000 -54.39477 -51.30040 3.09437 2.24193 -52.14636 873.09993
4835.0000 -54.18264 -51.93703 2.24561 2.36258 -51.14257 1021.60284
4840.0000 -54.56130 -51.38091 3.18039 2.28147 -51.81743 928.22823
4845.0000 -54.71985 -52.43442 2.28543 2.28247 -51.80909 874.64362
4850.0000 -54.61997 -51.47781 3.14216 2.26989 -51.91375 949.03861
4855.0000 -54.73176 -52.40660 2.32516 2.22148 -52.31657 875.38901
4860.0000 -55.89750 -53.30743 2.59007 2.17935 -52.66704 840.23363
4865.0000 -55.47316 -53.06881 2.40434 2.06462 -53.62164 723.96982
4870.0000 -55.89976 -53.40170 2.49807 2.11742 -53.18238 766.38389
4875.0000 -55.67450 -53.21880 2.45570 2.04518 -53.78340 710.36302
4880.0000 -55.56261 -52.29744 3.26516 2.13391 -53.04514 827.50555
4885.0000 -54.89422 -51.79961 3.09460 2.24639 -52.10928 975.37908
4890.0000 -55.11631 -52.26411 2.85221 2.27932 -51.83533 946.31050
4895.0000 -54.72540 -51.79260 2.93281 2.23129 -52.23492 874.58399
4900.0000 -54.53612 -51.69656 2.83956 2.29700 -51.68817 927.44924
4905.0000 -55.11896 -52.43234 2.68662 2.20364 -52.46494 872.12518
4910.0000 -55.50453 -51.96831 3.53623 2.24540 -52.11752 860.82537
4915.0000 -54.29675 -51.27745 3.01930 2.29527 -51.70257 952.45200
4920.0000 -55.26645 -51.87682 3.38963 2.31740 -51.51848 946.69489
4925.0000 -54.75647 -52.65006 2.10641 2.24341 -52.13409 915.10450
4930.0000 -54.84012 -52.13224 2.70787 2.18927 -52.58450 868.76243
4935.0000 -54.94018 -51.90828 3.03190 2.17713 -52.68558 884.40240
4940.0000 -54.86367 -51.95291 2.91076 2.24181 -52.14737 878.10527
4945.0000 -55.93532 -52.58617 3.34915 2.22141 -52.31711 896.87958
4950.0000 -55.41846 -53.17313 2.24533 2.12918 -53.08452 764.18918
4955.0000 -55.14841 -52.17622 2.97219 2.19476 -52.53882 836.83334
4960.0000 -54.76335 -52.51403 2.24932 2.23421 -52.21060 894.25511
4965.0000 -54.69172 -51.89944 2.79228 2.21518 -52.36896 867.59690
4970.0000 -54.66871 -51.49104 3.17767 2.24787 -52.09697 863.90242
4975.0000 -55.19573 -52.64550 2.55022 2.22378 -52.29737 861.02885
4980.0000 -55.43443 -52.07169 3.36274 2.28088 -51.82229 896.18072
4985.0000 -54.89559 -51.53313 3.36246 2.34374 -51.29927 1049.97907
4990.0000 -55.21402 -52.89860 2.31542 2.17730 -52.68409 867.87290
4995.0000 -55.85345 -53.13008 2.72337 2.13659 -53.02285 783.49511
5000.0000 -56.18667 -53.81253 2.37414 2.07432 -53.54100 756.50349
FREEZING PROCESS: loop number 21 T-loop= 808.00000000000000
main_MD> interactions number 21 at Temperature= 808.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.33418 -4.67899 -0.98751
force_rgl> df(natom) 0.12322 1.81001 3.12589
5005.0000 -55.88843 -53.45450 2.43393 2.08293 -53.46936 761.86448
5010.0000 -54.65463 -53.02788 1.62675 2.11869 -53.17175 767.00528
5015.0000 -56.10156 -54.00829 2.09327 2.10590 -53.27820 795.29152
5020.0000 -56.09611 -53.19124 2.90487 2.07594 -53.52746 763.88655
5025.0000 -55.73825 -53.35598 2.38226 2.09314 -53.38437 748.67387
5030.0000 -55.75915 -52.95688 2.80226 2.15037 -52.90824 826.68402
5035.0000 -54.13903 -51.79961 2.33943 2.21844 -52.34188 834.96261
5040.0000 -54.51000 -52.30990 2.20011 2.17513 -52.70222 871.12047
5045.0000 -55.33055 -52.86817 2.46238 2.14219 -52.97627 790.71830
5050.0000 -55.42893 -53.05487 2.37406 2.16014 -52.82692 813.05524
5055.0000 -54.99099 -53.04776 1.94324 2.14822 -52.92611 822.23843
5060.0000 -55.92309 -53.68909 2.23400 2.12772 -53.09664 817.47188
5065.0000 -55.95611 -53.59913 2.35698 2.04367 -53.79601 706.21360
5070.0000 -55.12478 -52.51440 2.61038 2.11553 -53.19806 738.38010
5075.0000 -56.07482 -53.29878 2.77604 2.14716 -52.93492 739.88158
5080.0000 -55.73567 -53.34822 2.38745 2.08979 -53.41224 766.70249
5085.0000 -55.76577 -52.56639 3.19938 2.17083 -52.73801 791.88445
5090.0000 -55.05880 -52.77429 2.28452 2.19167 -52.56456 861.63178
5095.0000 -55.62703 -53.45933 2.16770 2.13503 -53.03586 795.14272
5100.0000 -55.75011 -53.33990 2.41021 2.08986 -53.41170 776.65966
5105.0000 -55.01274 -53.11656 1.89618 2.09633 -53.35781 763.50864
5110.0000 -55.48794 -53.41765 2.07028 2.13710 -53.01862 752.53437
5115.0000 -55.32312 -52.95296 2.37016 2.12617 -53.10953 820.83349
5120.0000 -54.49400 -52.03673 2.45726 2.18339 -52.63342 881.01178
5125.0000 -55.60959 -52.62228 2.98732 2.23367 -52.21514 873.94359
5130.0000 -55.43682 -52.83103 2.60579 2.13949 -52.99871 758.43149
5135.0000 -56.44915 -53.41659 3.03256 2.15739 -52.84976 817.24644
5140.0000 -55.90049 -54.10647 1.79402 2.06659 -53.60530 740.30459
5145.0000 -55.22628 -53.18843 2.03785 2.12920 -53.08431 780.90126
5150.0000 -55.82636 -52.53077 3.29559 2.16520 -52.78480 843.78475
5155.0000 -54.94571 -52.11135 2.83436 2.20970 -52.41455 891.43105
5160.0000 -55.96133 -53.13889 2.82243 2.22084 -52.32189 886.99879
5165.0000 -55.77323 -53.37033 2.40290 2.13032 -53.07506 815.14510
5170.0000 -55.52907 -53.57091 1.95815 2.12933 -53.08324 770.97122
5175.0000 -55.86394 -53.31244 2.55150 2.12296 -53.13628 789.06675
5180.0000 -56.01675 -53.29143 2.72532 2.09931 -53.33301 777.17123
5185.0000 -55.24604 -52.28578 2.96025 2.19897 -52.50385 844.50191
5190.0000 -55.56984 -52.78431 2.78552 2.20162 -52.48180 912.16403
5195.0000 -55.61480 -53.32392 2.29088 2.08903 -53.41853 718.83121
5200.0000 -55.13497 -53.15628 1.97869 2.14714 -52.93506 845.07527
5205.0000 -55.98309 -53.24373 2.73937 2.10634 -53.27454 794.42001
5210.0000 -55.34078 -52.50626 2.83451 2.13753 -53.01503 842.61760
5215.0000 -55.88329 -53.14064 2.74265 2.21888 -52.33819 844.14797
5220.0000 -55.52670 -52.98793 2.53877 2.12029 -53.15851 775.83634
5225.0000 -55.57469 -52.69803 2.87666 2.15072 -52.90528 851.42626
5230.0000 -55.53425 -53.46491 2.06934 2.11266 -53.22193 789.37389
5235.0000 -55.68366 -53.35311 2.33055 2.09773 -53.34622 758.38851
5240.0000 -55.64423 -53.41038 2.23385 2.11425 -53.20871 771.24209
5245.0000 -56.16254 -54.30280 1.85974 2.01642 -54.02273 666.21382
5250.0000 -55.86306 -54.01313 1.84992 2.04288 -53.80255 665.89671
FREEZING PROCESS: loop number 22 T-loop= 783.00000000000000
main_MD> interactions number 22 at Temperature= 783.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.44017 2.69851 -1.38174
force_rgl> df(natom) -1.10380 -0.07108 0.55981
5255.0000 -55.84013 -53.83956 2.00057 2.02497 -53.95154 684.59822
5260.0000 -56.49259 -54.54523 1.94736 2.01175 -54.06160 677.58280
5265.0000 -55.32034 -53.44063 1.87970 2.03774 -53.84536 720.67347
5270.0000 -55.65876 -53.41046 2.24830 2.10092 -53.31963 773.80950
5275.0000 -55.72501 -53.73446 1.99055 2.06740 -53.59854 764.05855
5280.0000 -55.78590 -53.36600 2.41989 2.07901 -53.50196 748.66018
5285.0000 -55.30702 -53.16341 2.14361 2.11287 -53.22022 808.69782
5290.0000 -55.28724 -53.15944 2.12780 2.12683 -53.10402 788.27549
5295.0000 -55.15698 -52.82293 2.33404 2.09567 -53.36336 784.35862
5300.0000 -54.54086 -52.46905 2.07180 2.17601 -52.69489 809.60971
5305.0000 -55.36090 -52.45581 2.90509 2.16349 -52.79902 814.44427
5310.0000 -55.42698 -53.28839 2.13860 2.13192 -53.06168 821.79664
5315.0000 -55.72674 -53.42305 2.30369 2.11650 -53.19004 778.11930
5320.0000 -55.01623 -52.34205 2.67417 2.14639 -52.94133 784.32669
5325.0000 -55.36432 -52.49464 2.86968 2.22296 -52.30422 896.32414
5330.0000 -55.64933 -53.63864 2.01070 2.17731 -52.68401 846.58559
5335.0000 -56.57157 -54.36043 2.21114 2.06045 -53.65637 741.50908
5340.0000 -55.71703 -53.47901 2.23803 2.01407 -54.04228 684.65123
5345.0000 -55.79123 -52.46148 3.32975 2.11688 -53.18686 766.49059
5350.0000 -55.14980 -52.65547 2.49433 2.18236 -52.64201 825.41009
5355.0000 -54.80062 -52.81858 1.98204 2.20186 -52.47982 846.24627
5360.0000 -54.74012 -52.34088 2.39924 2.21804 -52.34514 848.83977
5365.0000 -54.81167 -52.47637 2.33530 2.19436 -52.54220 849.91396
5370.0000 -55.14127 -53.17568 1.96559 2.20671 -52.43944 841.04425
5375.0000 -56.46452 -54.24124 2.22329 2.06691 -53.60258 763.33199
5380.0000 -56.51313 -53.32255 3.19058 1.99302 -54.21737 672.24246
5385.0000 -55.72929 -53.21382 2.51547 2.06058 -53.65528 733.02863
5390.0000 -55.37242 -52.99031 2.38211 2.09437 -53.37416 793.50282
5395.0000 -55.58649 -52.97052 2.61597 2.09306 -53.38501 691.95380
5400.0000 -56.23552 -53.80778 2.42774 2.11652 -53.18981 784.80301
5405.0000 -55.23926 -52.98236 2.25690 2.05622 -53.69152 715.68183
5410.0000 -55.63044 -53.83526 1.79518 2.06419 -53.62523 745.95157
5415.0000 -56.14428 -53.88168 2.26260 2.01580 -54.02787 653.07914
5420.0000 -55.50078 -53.50147 1.99931 2.06954 -53.58070 709.74515
5425.0000 -55.38220 -53.90702 1.47518 2.04728 -53.76594 672.26825
5430.0000 -55.94506 -53.89487 2.05019 2.03340 -53.88142 723.10278
5435.0000 -56.05052 -53.76418 2.28634 2.05803 -53.67649 702.71575
5440.0000 -55.15009 -53.03031 2.11978 2.06307 -53.63457 751.65284
5445.0000 -55.63005 -52.87400 2.75605 2.11722 -53.18403 788.13251
5450.0000 -55.55608 -53.71360 1.84247 2.05968 -53.66275 727.94011
5455.0000 -55.96575 -54.95303 1.01272 2.05479 -53.70349 688.66530
5460.0000 -56.35985 -54.53395 1.82590 1.95221 -54.55700 602.52231
5465.0000 -55.79115 -53.75190 2.03925 2.01807 -54.00902 687.28852
5470.0000 -56.43134 -54.53688 1.89446 2.02457 -53.95488 662.81655
5475.0000 -55.18171 -52.07833 3.10338 2.08814 -53.42595 775.93133
5480.0000 -55.43575 -53.07206 2.36369 2.21551 -52.36624 881.62832
5485.0000 -55.65241 -53.19956 2.45285 2.17366 -52.71439 855.40351
5490.0000 -55.67323 -53.22825 2.44497 2.11265 -53.22204 803.23962
5495.0000 -55.73504 -53.69321 2.04183 2.06730 -53.59939 752.01399
5500.0000 -54.34280 -52.32160 2.02120 2.14616 -52.94324 807.09690
FREEZING PROCESS: loop number 23 T-loop= 758.00000000000000
main_MD> interactions number 23 at Temperature= 758.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.11630 -2.82006 2.19821
force_rgl> df(natom) 2.17174 -0.01621 2.49266
5505.0000 -55.71518 -53.70058 2.01460 2.15691 -52.85378 801.44575
5510.0000 -55.82835 -53.56583 2.26252 2.05065 -53.73786 654.69735
5515.0000 -56.64249 -55.13990 1.50259 1.98451 -54.28820 633.25445
5520.0000 -57.04451 -55.22306 1.82145 1.87460 -55.20273 556.62255
5525.0000 -55.53852 -53.76901 1.76952 1.96312 -54.46618 648.05164
5530.0000 -55.65809 -53.06786 2.59022 2.11611 -53.19328 792.70895
5535.0000 -55.72369 -53.63968 2.08401 2.03590 -53.86063 695.61116
5540.0000 -56.20730 -53.72148 2.48583 2.05272 -53.72066 707.26101
5545.0000 -55.66424 -52.84487 2.81937 2.06244 -53.63980 720.58511
5550.0000 -55.67592 -53.31637 2.35955 2.13072 -53.07166 799.55240
5555.0000 -56.42391 -54.36623 2.05768 2.06159 -53.64692 715.29412
5560.0000 -56.46910 -54.78660 1.68250 1.95947 -54.49658 629.68208
5565.0000 -56.08632 -53.46358 2.62274 2.03545 -53.86437 686.17858
5570.0000 -54.72474 -52.46086 2.26388 2.16612 -52.77719 832.91028
5575.0000 -55.78598 -54.08209 1.70389 2.10413 -53.29296 780.22865
5580.0000 -55.64485 -53.59921 2.04564 2.04896 -53.75201 722.86153
5585.0000 -55.88565 -53.91968 1.96597 2.03776 -53.84514 695.23427
5590.0000 -56.28130 -53.61584 2.66546 2.07764 -53.51334 761.23353
5595.0000 -56.51003 -53.88760 2.62244 2.04674 -53.77045 686.41594
5600.0000 -56.34588 -54.60063 1.74525 1.98320 -54.29908 616.74943
5605.0000 -56.24787 -54.53088 1.71699 1.99305 -54.21717 643.51439
5610.0000 -55.65632 -53.35947 2.29685 2.04165 -53.81275 722.64630
5615.0000 -55.74579 -53.58685 2.15894 2.01690 -54.01872 702.07539
5620.0000 -55.66872 -53.83359 1.83513 2.03487 -53.86916 708.92804
5625.0000 -56.17908 -53.95078 2.22829 2.05170 -53.72916 694.06439
5630.0000 -56.12828 -53.52212 2.60617 2.05266 -53.72120 705.01726
5635.0000 -55.83252 -53.84956 1.98296 2.00927 -54.08218 689.88614
5640.0000 -56.23217 -54.33172 1.90044 2.03018 -53.90821 707.11353
5645.0000 -56.48520 -54.15190 2.33330 1.98212 -54.30811 645.98940
5650.0000 -55.93336 -53.57778 2.35557 2.06100 -53.65183 727.10587
5655.0000 -55.82543 -53.32486 2.50057 2.09389 -53.37812 745.09409
5660.0000 -55.33287 -52.50982 2.82305 2.12066 -53.15539 734.44051
5665.0000 -55.39384 -52.90653 2.48731 2.20207 -52.47803 799.56255
5670.0000 -55.22344 -52.33941 2.88403 2.24500 -52.12085 893.87245
5675.0000 -55.46107 -52.44107 3.02000 2.18425 -52.62630 839.10422
5680.0000 -55.88246 -53.38317 2.49929 2.13977 -52.99636 750.87559
5685.0000 -55.34947 -52.30356 3.04591 2.17146 -52.73273 762.03770
5690.0000 -55.48511 -52.80368 2.68143 2.19886 -52.50472 859.04015
5695.0000 -55.47365 -52.47612 2.99753 2.17396 -52.71196 886.11516
5700.0000 -55.48027 -52.41614 3.06413 2.16768 -52.76414 828.37370
5705.0000 -56.00267 -53.02968 2.97299 2.20620 -52.44365 867.76710
5710.0000 -56.44166 -54.30315 2.13851 2.03273 -53.88701 667.80779
5715.0000 -55.55997 -53.08631 2.47366 2.11839 -53.17430 773.56245
5720.0000 -56.16571 -54.01617 2.14954 2.05527 -53.69948 711.56432
5725.0000 -55.43877 -53.31692 2.12185 2.00250 -54.13852 636.91176
5730.0000 -56.85578 -54.08558 2.77020 2.05883 -53.66987 711.46563
5735.0000 -55.15237 -53.25337 1.89900 2.05119 -53.73341 710.15177
5740.0000 -55.11654 -52.76905 2.34749 2.16026 -52.82591 826.78848
5745.0000 -56.06038 -53.61884 2.44153 2.12663 -53.10573 823.30767
5750.0000 -54.92492 -53.02786 1.89706 2.07544 -53.53162 736.77623
FREEZING PROCESS: loop number 24 T-loop= 733.00000000000000
main_MD> interactions number 24 at Temperature= 733.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91072 1.00032 2.28687
force_rgl> df(natom) 3.15378 -2.98624 0.94548
5755.0000 -55.72070 -53.53966 2.18104 2.12604 -53.11063 774.57316
5760.0000 -55.49092 -53.41632 2.07461 2.11752 -53.18149 770.26843
5765.0000 -54.59275 -51.64096 2.95178 2.20964 -52.41501 861.69407
5770.0000 -55.48460 -52.33172 3.15288 2.23024 -52.24364 923.26270
5775.0000 -55.26316 -52.40446 2.85870 2.21688 -52.35477 883.59871
5780.0000 -56.11222 -53.64179 2.47043 2.17266 -52.72276 839.83142
5785.0000 -54.66827 -53.38559 1.28268 2.10437 -53.29095 717.17778
5790.0000 -55.47495 -52.84243 2.63252 2.11859 -53.17261 742.60130
5795.0000 -56.37123 -53.90456 2.46667 2.06793 -53.59413 722.31410
5800.0000 -56.64123 -54.17005 2.47117 2.00460 -54.12103 656.57795
5805.0000 -56.47892 -53.87463 2.60429 2.08256 -53.47244 774.07283
5810.0000 -56.43492 -54.53148 1.90344 1.96996 -54.40926 610.77317
5815.0000 -56.00945 -54.10548 1.90397 1.99725 -54.18224 657.86151
5820.0000 -55.85600 -54.01379 1.84222 2.00856 -54.08809 687.74733
5825.0000 -55.78578 -53.20908 2.57670 2.06261 -53.63842 718.76595
5830.0000 -55.30458 -53.33070 1.97388 2.16159 -52.81486 806.38676
5835.0000 -55.74911 -53.65494 2.09417 2.09041 -53.40705 771.09201
5840.0000 -56.48521 -53.97170 2.51351 1.98107 -54.31680 642.65656
5845.0000 -56.33686 -54.39094 1.94592 2.03080 -53.90303 710.00249
5850.0000 -55.98640 -54.25633 1.73008 2.02760 -53.92966 736.81641
5855.0000 -55.64547 -53.67441 1.97106 2.07052 -53.57261 722.51453
5860.0000 -55.74871 -53.63387 2.11483 2.00478 -54.11957 667.94092
5865.0000 -55.97646 -53.57929 2.39717 2.04266 -53.80439 722.19051
5870.0000 -55.71161 -53.63644 2.07517 2.06627 -53.60791 712.89875
5875.0000 -55.62949 -53.15028 2.47922 2.06709 -53.60112 727.10672
5880.0000 -55.73045 -52.60754 3.12291 2.14955 -52.91500 780.66249
5885.0000 -55.20023 -52.61824 2.58199 2.22528 -52.28494 886.04140
5890.0000 -56.02987 -53.90562 2.12425 2.07356 -53.54730 730.51944
5895.0000 -55.82036 -53.21729 2.60307 2.09034 -53.40765 795.94050
5900.0000 -54.78486 -52.65520 2.12966 2.19508 -52.53618 837.45541
5905.0000 -55.77651 -52.59638 3.18013 2.23590 -52.19658 884.24285
5910.0000 -55.28082 -53.18247 2.09835 2.17095 -52.73696 810.09252
5915.0000 -55.51269 -53.14039 2.37230 2.14097 -52.98641 787.99590
5920.0000 -55.37075 -53.50212 1.86864 2.06156 -53.64711 684.32953
5925.0000 -56.30835 -54.08797 2.22038 2.07027 -53.57469 712.18537
5930.0000 -56.19412 -53.87205 2.32207 2.00665 -54.10401 695.36340
5935.0000 -55.41446 -53.54586 1.86860 2.08503 -53.45186 716.21373
5940.0000 -56.09541 -53.45462 2.64078 2.08705 -53.43504 775.85350
5945.0000 -55.92638 -53.82267 2.10371 2.04332 -53.79889 711.99168
5950.0000 -55.96222 -53.04338 2.91884 2.07721 -53.51694 728.12117
5955.0000 -56.00381 -54.05410 1.94971 2.01884 -54.00255 692.66801
5960.0000 -55.78597 -53.82069 1.96529 2.08956 -53.41419 727.11195
5965.0000 -55.72078 -53.23565 2.48513 2.05528 -53.69934 707.14805
5970.0000 -55.99023 -54.35583 1.63440 2.07305 -53.55151 760.57387
5975.0000 -55.74472 -53.83462 1.91010 2.06186 -53.64460 744.06821
5980.0000 -56.21272 -54.26151 1.95121 2.02185 -53.97756 637.84169
5985.0000 -55.52223 -53.41678 2.10545 2.00781 -54.09436 666.36574
5990.0000 -56.00127 -53.85384 2.14743 2.06929 -53.58283 716.60816
5995.0000 -55.75047 -54.11495 1.63552 2.00230 -54.14021 662.25688
6000.0000 -55.62238 -53.32575 2.29663 2.00327 -54.13212 643.79011
FREEZING PROCESS: loop number 25 T-loop= 708.00000000000000
main_MD> interactions number 25 at Temperature= 708.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.97782 -0.25582 3.67719
force_rgl> df(natom) 1.50916 -1.52786 -1.55491
6005.0000 -55.07167 -53.18392 1.88774 2.11835 -53.17459 743.32833
6010.0000 -55.84164 -53.39676 2.44488 2.05353 -53.71395 694.85543
6015.0000 -56.36487 -54.26993 2.09494 2.03825 -53.84108 713.89916
6020.0000 -56.32736 -53.73624 2.59112 2.00924 -54.08247 692.46465
6025.0000 -55.94955 -53.80368 2.14586 2.00214 -54.14156 671.97205
6030.0000 -56.49527 -54.18228 2.31299 1.97022 -54.40712 615.09583
6035.0000 -56.10487 -53.81584 2.28904 2.00153 -54.14656 682.64116
6040.0000 -57.13522 -54.75085 2.38437 1.94936 -54.58064 604.35213
6045.0000 -56.31381 -54.10611 2.20770 1.95288 -54.55137 609.89799
6050.0000 -56.10456 -54.55176 1.55281 2.00098 -54.15116 639.18682
6055.0000 -56.59877 -54.68836 1.91041 2.01639 -54.02299 711.99978
6060.0000 -56.69112 -54.31971 2.37141 1.91313 -54.88213 559.95515
6065.0000 -55.26605 -52.41604 2.85001 2.08308 -53.46805 691.07702
6070.0000 -54.91889 -52.74173 2.17716 2.17627 -52.69269 834.64501
6075.0000 -55.33989 -53.47836 1.86153 2.06582 -53.61168 712.97113
6080.0000 -55.43899 -53.92344 1.51555 2.08535 -53.44915 671.99506
6085.0000 -56.01049 -53.82464 2.18584 2.02393 -53.96022 635.34369
6090.0000 -55.76082 -54.04107 1.71975 2.00401 -54.12599 612.33456
6095.0000 -56.48487 -54.00612 2.47875 2.10541 -53.28230 772.78047
6100.0000 -55.17322 -52.75287 2.42035 2.15455 -52.87340 831.65277
6105.0000 -55.43080 -52.93311 2.49770 2.13449 -53.04035 807.26257
6110.0000 -55.57310 -53.08078 2.49233 2.12535 -53.11635 777.78268
6115.0000 -55.92281 -53.79861 2.12420 2.08957 -53.41408 732.40476
6120.0000 -56.10858 -53.66248 2.44610 2.03470 -53.87062 668.26726
6125.0000 -56.22394 -53.59842 2.62553 2.02913 -53.91696 702.43490
6130.0000 -55.82836 -53.68020 2.14815 2.08306 -53.46820 714.45640
6135.0000 -55.65565 -53.17020 2.48545 2.10023 -53.32539 780.99595
6140.0000 -55.57466 -53.17272 2.40193 2.15322 -52.88451 808.01866
6145.0000 -56.21300 -54.18164 2.03136 2.04296 -53.80192 704.88071
6150.0000 -56.01552 -53.90869 2.10684 2.02928 -53.91568 681.02630
6155.0000 -55.74851 -53.01248 2.73604 2.04356 -53.79686 723.60966
6160.0000 -56.28909 -54.63139 1.65770 2.02434 -53.95678 707.50525
6165.0000 -55.78143 -53.70976 2.07168 2.03920 -53.83320 689.14396
6170.0000 -55.82747 -53.80623 2.02124 2.02770 -53.92886 686.37458
6175.0000 -56.17841 -54.24315 1.93526 2.01998 -53.99312 671.13750
6180.0000 -56.53725 -54.77322 1.76403 1.95379 -54.54383 602.20470
6185.0000 -55.95366 -53.35803 2.59563 2.01575 -54.02829 688.28212
6190.0000 -55.66877 -53.68079 1.98798 2.08211 -53.47614 752.95673
6195.0000 -56.01578 -53.86449 2.15129 2.02641 -53.93959 698.38548
6200.0000 -56.56035 -54.15651 2.40384 2.00843 -54.08915 683.42029
6205.0000 -55.51353 -53.88240 1.63113 2.01384 -54.04418 665.13746
6210.0000 -56.22585 -53.63965 2.58620 2.05377 -53.71198 716.67030
6215.0000 -55.72334 -53.09538 2.62796 2.07433 -53.54086 738.27244
6220.0000 -55.78953 -53.45843 2.33110 2.09997 -53.32754 759.81761
6225.0000 -56.25805 -53.90150 2.35655 2.14346 -52.96571 843.52467
6230.0000 -56.12496 -54.01479 2.11018 2.00781 -54.09433 683.64546
6235.0000 -55.76042 -53.45046 2.30996 2.05407 -53.70943 706.98426
6240.0000 -56.13916 -53.80712 2.33204 2.04261 -53.80480 708.76938
6245.0000 -55.48441 -53.01257 2.47184 2.08000 -53.49369 736.19588
6250.0000 -55.93954 -53.35329 2.58624 2.13141 -53.06592 773.60947
FREEZING PROCESS: loop number 26 T-loop= 683.00000000000000
main_MD> interactions number 26 at Temperature= 683.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.04735 0.86672 -0.76434
force_rgl> df(natom) -1.17448 2.17529 -0.84254
6255.0000 -56.49581 -54.33514 2.16067 2.00582 -54.11094 645.63498
6260.0000 -55.58406 -53.91371 1.67035 2.01252 -54.05516 661.17146
6265.0000 -56.02187 -53.36665 2.65522 2.06890 -53.58606 724.93990
6270.0000 -56.16719 -53.18267 2.98452 2.13521 -53.03434 810.27973
6275.0000 -56.64098 -55.19147 1.44951 1.97297 -54.38422 647.42760
6280.0000 -56.20547 -54.28105 1.92442 1.95173 -54.56096 614.20954
6285.0000 -56.72137 -54.90953 1.81184 1.96400 -54.45887 625.31033
6290.0000 -56.77235 -54.50863 2.26372 1.98120 -54.31575 602.76285
6295.0000 -56.21308 -54.48432 1.72876 1.96908 -54.41661 626.03556
6300.0000 -56.99528 -54.87736 2.11791 1.94914 -54.58253 625.26724
6305.0000 -56.22557 -54.47482 1.75075 1.94063 -54.65329 600.14080
6310.0000 -56.58195 -54.78445 1.79749 1.95475 -54.53584 585.98540
6315.0000 -56.51262 -54.32758 2.18505 1.97432 -54.37301 656.07055
6320.0000 -55.55652 -53.55778 1.99874 2.04902 -53.75145 717.03242
6325.0000 -56.22694 -53.66854 2.55841 2.05191 -53.72741 689.60573
6330.0000 -56.61985 -54.94498 1.67488 2.00478 -54.11955 617.56872
6335.0000 -55.01207 -53.03107 1.98100 2.05050 -53.73919 700.00780
6340.0000 -55.90938 -54.35235 1.55703 2.04980 -53.74496 726.18976
6345.0000 -56.49744 -54.69664 1.80080 1.92854 -54.75386 607.49513
6350.0000 -55.71734 -53.43157 2.28577 2.01778 -54.01143 663.84465
6355.0000 -55.19259 -52.68824 2.50435 2.15212 -52.89367 800.20096
6360.0000 -55.48323 -53.73826 1.74497 2.12973 -53.07997 784.66948
6365.0000 -56.90937 -54.21691 2.69246 2.05301 -53.71825 698.33152
6370.0000 -56.58559 -54.49829 2.08730 1.98589 -54.27674 682.46671
6375.0000 -56.78011 -54.35237 2.42774 1.99735 -54.18136 677.99948
6380.0000 -56.29719 -53.98240 2.31479 2.00297 -54.13460 699.79756
6385.0000 -56.61820 -54.14011 2.47809 1.96167 -54.47825 617.87118
6390.0000 -56.24933 -54.08921 2.16012 1.99662 -54.18744 675.45898
6395.0000 -56.42702 -53.76701 2.66001 2.01566 -54.02902 666.19951
6400.0000 -55.87114 -53.76833 2.10280 2.02900 -53.91802 699.26774
6405.0000 -56.13022 -54.12270 2.00752 2.02869 -53.92061 659.76136
6410.0000 -55.96596 -53.95497 2.01099 1.99858 -54.17112 650.65401
6415.0000 -55.91026 -53.79345 2.11681 1.99090 -54.23505 654.91063
6420.0000 -56.28786 -54.65932 1.62854 1.96181 -54.47709 620.80090
6425.0000 -56.07756 -54.09900 1.97856 1.98736 -54.26446 654.41062
6430.0000 -56.18713 -53.81708 2.37005 2.00558 -54.11290 647.91809
6435.0000 -55.98046 -54.18731 1.79315 2.06460 -53.62180 709.98929
6440.0000 -56.38459 -54.07779 2.30680 1.98144 -54.31373 628.66438
6445.0000 -55.76835 -53.93362 1.83473 1.99753 -54.17989 638.73249
6450.0000 -56.86307 -55.21452 1.64855 1.97312 -54.38300 645.24139
6455.0000 -56.37419 -54.33280 2.04139 1.93269 -54.71936 603.12923
6460.0000 -56.28919 -54.23642 2.05277 1.98965 -54.24543 658.91991
6465.0000 -55.84510 -53.33693 2.50817 2.06512 -53.61747 719.28990
6470.0000 -55.74913 -53.21878 2.53035 2.08918 -53.41735 748.86665
6475.0000 -55.38124 -53.77857 1.60267 2.07039 -53.57369 703.52447
6480.0000 -56.06772 -53.88015 2.18756 2.02382 -53.96116 681.03329
6485.0000 -56.01080 -53.94218 2.06862 2.01835 -54.00666 689.16422
6490.0000 -56.20109 -53.53375 2.66734 2.05257 -53.72193 710.58567
6495.0000 -55.58420 -53.66043 1.92377 2.09065 -53.40512 752.60812
6500.0000 -56.31158 -54.74481 1.56677 2.01661 -54.02110 667.77261
FREEZING PROCESS: loop number 27 T-loop= 658.00000000000000
main_MD> interactions number 27 at Temperature= 658.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.11861 -1.48239 0.86330
force_rgl> df(natom) 0.39618 1.12247 3.08476
6505.0000 -56.27122 -54.25086 2.02036 1.97861 -54.33730 644.37761
6510.0000 -56.30356 -54.33900 1.96456 1.99299 -54.21770 673.47373
6515.0000 -55.92191 -54.02239 1.89952 1.98898 -54.25102 642.77400
6520.0000 -55.27121 -53.13001 2.14120 2.08287 -53.46982 735.99846
6525.0000 -56.00987 -53.48585 2.52402 2.08727 -53.43322 745.45715
6530.0000 -56.21939 -54.16122 2.05817 2.05289 -53.71928 659.51332
6535.0000 -56.03160 -54.17468 1.85693 2.01919 -53.99964 701.11470
6540.0000 -56.13117 -54.65338 1.47780 2.00395 -54.12647 644.40956
6545.0000 -55.54749 -53.55211 1.99538 2.00403 -54.12581 675.14809
6550.0000 -56.41611 -54.16912 2.24699 2.05974 -53.66229 747.79165
6555.0000 -55.93132 -53.37827 2.55305 2.05489 -53.70259 727.93191
6560.0000 -56.48954 -53.89713 2.59240 2.05107 -53.73443 699.93790
6565.0000 -56.15300 -53.75206 2.40094 2.03151 -53.89716 706.00345
6570.0000 -56.37681 -53.71967 2.65714 2.06169 -53.64604 720.75686
6575.0000 -56.80707 -54.45226 2.35482 2.01301 -54.05108 673.77728
6580.0000 -55.89825 -53.76263 2.13562 1.94166 -54.64471 601.62212
6585.0000 -55.50277 -53.04033 2.46243 2.12002 -53.16070 800.35269
6590.0000 -55.35589 -52.75848 2.59741 2.12068 -53.15521 795.20883
6595.0000 -54.45328 -51.85729 2.59599 2.15626 -52.85922 826.20152
6600.0000 -54.11302 -51.99162 2.12140 2.23878 -52.17259 899.04462
6605.0000 -56.21490 -53.39021 2.82469 2.18663 -52.60647 867.36787
6610.0000 -56.24099 -54.55777 1.68323 2.01794 -54.01005 632.13335
6615.0000 -55.93620 -54.00536 1.93084 1.95716 -54.51581 541.07897
6620.0000 -56.13412 -53.94002 2.19410 2.03421 -53.87466 659.24166
6625.0000 -56.50185 -54.76030 1.74154 1.97651 -54.35477 609.43828
6630.0000 -56.46730 -54.64301 1.82429 1.95153 -54.56265 595.81894
6635.0000 -56.48099 -54.59396 1.88703 1.94716 -54.59901 637.60186
6640.0000 -56.76078 -54.27442 2.48636 1.98094 -54.31795 608.91581
6645.0000 -56.26279 -54.48938 1.77340 1.97638 -54.35586 608.49273
6650.0000 -55.99179 -53.81135 2.18044 1.96847 -54.42171 617.84785
6655.0000 -55.43043 -52.18539 3.24504 2.10571 -53.27975 717.32109
6660.0000 -55.57410 -53.11551 2.45859 2.18576 -52.61378 835.66987
6665.0000 -55.64619 -53.71994 1.92625 2.12103 -53.15236 802.32423
6670.0000 -55.77358 -53.49206 2.28153 2.03726 -53.84935 678.77018
6675.0000 -56.00019 -53.98475 2.01545 2.03549 -53.86405 700.57405
6680.0000 -55.65156 -53.64038 2.01118 2.04271 -53.80401 676.58023
6685.0000 -56.14501 -54.14269 2.00232 2.03628 -53.85745 629.39938
6690.0000 -56.74798 -54.83440 1.91358 1.96533 -54.44782 635.91641
6695.0000 -56.20422 -53.87113 2.33309 1.96578 -54.44404 626.82873
6700.0000 -56.08751 -53.86395 2.22356 2.04811 -53.75901 706.29490
6705.0000 -56.94351 -54.98833 1.95518 1.94760 -54.59531 593.33476
6710.0000 -55.65320 -54.07157 1.58163 1.96542 -54.44704 586.84544
6715.0000 -56.48877 -54.83970 1.64907 1.98683 -54.26894 604.34977
6720.0000 -56.20997 -54.41110 1.79887 1.90752 -54.92878 540.58783
6725.0000 -56.93434 -55.14599 1.78835 1.93441 -54.70504 584.75096
6730.0000 -56.86390 -54.98103 1.88287 1.94226 -54.63974 594.70852
6735.0000 -56.51625 -54.76009 1.75617 1.91419 -54.87326 568.65476
6740.0000 -56.09994 -54.39601 1.70394 1.95489 -54.53468 609.66062
6745.0000 -56.27159 -54.51851 1.75308 1.97832 -54.33970 675.91876
6750.0000 -56.60327 -54.63315 1.97012 1.99749 -54.18019 661.83540
FREEZING PROCESS: loop number 28 T-loop= 633.00000000000000
main_MD> interactions number 28 at Temperature= 633.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.17737 -0.70701 0.56377
force_rgl> df(natom) 4.14129 1.07986 0.57556
6755.0000 -56.42633 -54.71585 1.71048 1.91358 -54.87841 548.99267
6760.0000 -56.81500 -54.65868 2.15632 1.94232 -54.63921 629.65513
6765.0000 -56.74747 -54.69629 2.05117 1.92028 -54.82266 595.29756
6770.0000 -56.66603 -54.96166 1.70437 1.91932 -54.83061 592.40129
6775.0000 -56.45410 -54.83676 1.61734 1.89672 -55.01862 550.89914
6780.0000 -56.75673 -54.29289 2.46384 1.97384 -54.37702 647.79237
6785.0000 -56.21387 -54.18507 2.02880 1.97929 -54.33161 654.35938
6790.0000 -56.51219 -54.99109 1.52110 1.98488 -54.28515 666.82023
6795.0000 -56.72504 -54.69616 2.02888 1.92700 -54.76671 581.43130
6800.0000 -56.49996 -54.55581 1.94414 1.94459 -54.62038 653.31245
6805.0000 -56.43361 -54.46655 1.96705 1.94505 -54.61654 628.90947
6810.0000 -56.50134 -54.47554 2.02580 1.94721 -54.59854 637.51504
6815.0000 -55.27567 -53.45518 1.82048 1.98559 -54.27926 607.00167
6820.0000 -56.16466 -53.95171 2.21296 2.09609 -53.35984 690.19262
6825.0000 -57.09025 -55.07731 2.01294 1.97401 -54.37557 596.73050
6830.0000 -56.04716 -54.18461 1.86254 1.97723 -54.34880 649.51579
6835.0000 -56.80800 -55.64283 1.16517 1.90494 -54.95026 537.38193
6840.0000 -56.30478 -54.32824 1.97654 1.90283 -54.96784 563.03859
6845.0000 -55.87050 -54.02545 1.84505 1.99296 -54.21793 641.41520
6850.0000 -55.34950 -53.58511 1.76438 2.08132 -53.48271 689.02863
6855.0000 -56.21811 -54.20251 2.01560 2.03463 -53.87116 696.07397
6860.0000 -56.24378 -54.09623 2.14755 2.03692 -53.85217 708.05382
6865.0000 -55.57264 -53.04147 2.53117 2.03829 -53.84078 686.31665
6870.0000 -55.57887 -53.86507 1.71380 2.03396 -53.87679 655.55710
6875.0000 -55.96417 -53.93855 2.02562 1.95157 -54.56231 577.18746
6880.0000 -56.78877 -54.43510 2.35367 1.95382 -54.54354 615.33179
6885.0000 -56.92056 -54.85684 2.06372 1.91594 -54.85873 569.78557
6890.0000 -55.80858 -53.82994 1.97864 1.94699 -54.60043 594.75741
6895.0000 -55.86610 -53.78514 2.08096 2.05319 -53.71678 684.36385
6900.0000 -56.84315 -54.54146 2.30169 2.00494 -54.11824 654.07522
6905.0000 -57.07409 -54.53442 2.53966 1.90492 -54.95047 558.00293
6910.0000 -56.54577 -55.22210 1.32367 1.95320 -54.54875 607.36164
6915.0000 -56.50950 -54.28118 2.22832 1.92946 -54.74626 594.48134
6920.0000 -56.42009 -54.77239 1.64769 1.96818 -54.42410 674.15743
6925.0000 -56.77605 -55.38860 1.38745 1.88210 -55.14033 537.71530
6930.0000 -56.68762 -55.19415 1.49348 1.88797 -55.09143 510.01386
6935.0000 -55.24326 -53.01031 2.23295 1.99707 -54.18368 682.37962
6940.0000 -55.95583 -53.76337 2.19246 2.08769 -53.42973 734.36445
6945.0000 -56.61458 -54.89171 1.72287 1.97399 -54.37578 624.56384
6950.0000 -56.30961 -54.72608 1.58353 1.92038 -54.82178 607.32714
6955.0000 -56.82235 -55.19217 1.63018 1.89010 -55.07371 525.63410
6960.0000 -56.58257 -54.59861 1.98395 1.90268 -54.96909 568.66427
6965.0000 -57.02711 -55.17233 1.85478 1.90420 -54.95640 572.83235
6970.0000 -56.22294 -54.38895 1.83400 1.90819 -54.92322 557.85850
6975.0000 -55.96055 -53.63185 2.32869 1.98402 -54.29231 664.78363
6980.0000 -56.27393 -54.74097 1.53296 1.99299 -54.21766 646.94090
6985.0000 -56.82569 -55.32024 1.50545 1.92748 -54.76271 593.69078
6990.0000 -56.85029 -55.48637 1.36392 1.81245 -55.71983 458.31395
6995.0000 -56.81109 -54.70102 2.11007 1.89072 -55.06854 546.44674
7000.0000 -56.76197 -55.44084 1.32114 1.86637 -55.27115 527.77791
FREEZING PROCESS: loop number 29 T-loop= 608.00000000000000
main_MD> interactions number 29 at Temperature= 608.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.19851 1.29900 -0.76402
force_rgl> df(natom) 0.40339 -1.78743 0.59703
7005.0000 -57.28452 -55.67074 1.61377 1.80933 -55.74581 455.74262
7010.0000 -56.46797 -54.70861 1.75936 1.89956 -54.99501 565.38405
7015.0000 -56.91358 -55.15761 1.75597 1.92202 -54.80811 597.61080
7020.0000 -56.75923 -55.06618 1.69305 1.89273 -55.05181 545.04100
7025.0000 -56.33940 -54.46644 1.87296 1.86685 -55.26716 489.07255
7030.0000 -56.83258 -54.89057 1.94201 1.92412 -54.79065 557.31058
7035.0000 -56.53385 -54.71091 1.82293 1.93389 -54.70935 604.62199
7040.0000 -56.26776 -54.46166 1.80610 1.93779 -54.67692 608.93270
7045.0000 -56.05394 -54.19065 1.86329 2.02418 -53.95810 660.98035
7050.0000 -56.05205 -54.06224 1.98980 2.01695 -54.01832 697.42772
7055.0000 -56.36598 -54.83030 1.53568 1.94761 -54.59527 602.17476
7060.0000 -56.51877 -54.46162 2.05716 1.94712 -54.59932 617.08798
7065.0000 -56.07403 -53.78584 2.28820 1.99044 -54.23886 624.55346
7070.0000 -55.68953 -53.50259 2.18694 2.04257 -53.80513 680.98246
7075.0000 -56.46534 -53.46627 2.99907 2.08217 -53.47563 732.49618
7080.0000 -56.22308 -54.12495 2.09812 1.98662 -54.27066 678.20569
7085.0000 -56.00346 -54.11010 1.89337 1.99978 -54.16113 648.34927
7090.0000 -56.11351 -53.99226 2.12125 1.97835 -54.33944 638.38184
7095.0000 -56.38551 -54.60001 1.78550 1.95216 -54.55740 594.83691
7100.0000 -56.55833 -54.42330 2.13503 1.97481 -54.36889 675.83353
7105.0000 -56.42067 -54.28441 2.13626 1.97857 -54.33762 641.78914
7110.0000 -55.99472 -54.67077 1.32395 1.90923 -54.91453 547.03474
7115.0000 -56.81954 -54.51350 2.30604 1.92096 -54.81700 549.45957
7120.0000 -56.85172 -54.79755 2.05417 1.95014 -54.57422 624.12766
7125.0000 -56.61486 -54.26635 2.34851 1.96409 -54.45812 628.90399
7130.0000 -55.78186 -54.15940 1.62246 2.00253 -54.13828 667.02055
7135.0000 -56.40356 -54.29341 2.11015 1.98302 -54.30065 652.15464
7140.0000 -56.13349 -53.76410 2.36939 1.99867 -54.17035 650.19697
7145.0000 -55.83641 -53.70292 2.13349 2.05243 -53.72306 724.62744
7150.0000 -56.49677 -54.92931 1.56746 1.98103 -54.31713 652.68058
7155.0000 -55.96916 -54.60598 1.36318 1.91314 -54.88204 547.02600
7160.0000 -56.68053 -54.90510 1.77543 1.93529 -54.69771 569.31033
7165.0000 -56.30563 -55.28834 1.01728 1.86461 -55.28585 504.71106
7170.0000 -56.74938 -54.21523 2.53414 1.89933 -54.99691 548.55934
7175.0000 -56.38738 -54.50406 1.88332 1.96651 -54.43801 652.25304
7180.0000 -56.58617 -54.94339 1.64277 1.94328 -54.63125 613.17972
7185.0000 -56.33935 -54.40792 1.93143 1.94921 -54.58195 625.70792
7190.0000 -56.17815 -54.16800 2.01014 1.99375 -54.21134 623.41749
7195.0000 -55.14386 -53.49156 1.65230 2.03752 -53.84712 694.43077
7200.0000 -55.92097 -53.81340 2.10757 2.06750 -53.59770 700.00636
7205.0000 -56.27637 -53.64297 2.63340 2.04392 -53.79389 746.01027
7210.0000 -55.84726 -53.24167 2.60559 2.04722 -53.76646 715.23025
7215.0000 -55.21919 -53.02399 2.19519 2.13212 -53.06004 771.90318
7220.0000 -55.63247 -53.88088 1.75159 2.05305 -53.71791 742.76851
7225.0000 -57.01783 -54.73965 2.27818 2.01322 -54.04935 700.99588
7230.0000 -56.31916 -54.29821 2.02095 1.98164 -54.31210 675.69562
7235.0000 -57.08528 -54.87580 2.20949 1.93785 -54.67645 592.68432
7240.0000 -56.38148 -54.75393 1.62755 1.94849 -54.58790 613.87913
7245.0000 -56.47073 -54.46783 2.00291 1.97879 -54.33582 624.01277
7250.0000 -56.24441 -53.79237 2.45203 1.99668 -54.18695 652.99058
FREEZING PROCESS: loop number 30 T-loop= 583.00000000000000
main_MD> interactions number 30 at Temperature= 583.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.42754 1.23269 4.27059
force_rgl> df(natom) 1.35620 -0.53528 1.88157
7255.0000 -56.42282 -54.61297 1.80984 2.01168 -54.06217 701.22871
7260.0000 -56.56283 -54.55634 2.00649 1.93696 -54.68384 602.31043
7265.0000 -56.89929 -54.97561 1.92368 1.90057 -54.98660 555.50812
7270.0000 -56.44630 -54.66846 1.77785 1.92759 -54.76180 602.45988
7275.0000 -56.16071 -54.38345 1.77725 1.95405 -54.54168 592.69297
7280.0000 -57.14949 -54.54229 2.60720 1.95231 -54.55616 635.34919
7285.0000 -56.33872 -54.86386 1.47486 1.94006 -54.65802 597.03314
7290.0000 -56.01420 -53.98905 2.02515 1.95233 -54.55594 556.54394
7295.0000 -56.45073 -54.20810 2.24264 1.99278 -54.21941 597.14021
7300.0000 -56.09683 -54.16491 1.93191 2.00695 -54.10149 588.74217
7305.0000 -55.93961 -53.27239 2.66722 2.02533 -53.94857 699.28676
7310.0000 -56.83260 -54.74203 2.09058 2.03560 -53.86310 684.93451
7315.0000 -56.45626 -54.65670 1.79955 1.94342 -54.63012 613.73657
7320.0000 -57.09945 -55.64322 1.45623 1.90430 -54.95559 562.63736
7325.0000 -56.54830 -55.18478 1.36352 1.86367 -55.29361 513.12400
7330.0000 -56.63995 -55.43902 1.20093 1.83447 -55.53658 475.51625
7335.0000 -56.52716 -54.90311 1.62405 1.90176 -54.97674 546.48385
7340.0000 -55.98166 -54.45885 1.52281 1.99409 -54.20852 653.22935
7345.0000 -56.44853 -54.65367 1.79485 1.94421 -54.62356 599.32344
7350.0000 -57.01422 -55.07397 1.94025 1.90067 -54.98577 571.81295
7355.0000 -56.99089 -55.66233 1.32856 1.88295 -55.13319 532.00387
7360.0000 -56.64621 -55.08758 1.55863 1.85383 -55.37552 509.86605
7365.0000 -56.95042 -55.27327 1.67715 1.88798 -55.09133 532.39498
7370.0000 -56.47365 -54.67295 1.80069 1.93080 -54.73512 622.41563
7375.0000 -56.35419 -54.67426 1.67993 1.94981 -54.57691 630.82422
7380.0000 -56.49340 -54.21138 2.28203 1.95394 -54.54253 614.29111
7385.0000 -55.83717 -53.81212 2.02505 2.00174 -54.14482 642.39840
7390.0000 -56.78441 -54.79474 1.98967 1.97671 -54.35309 651.30034
7395.0000 -56.58898 -54.94340 1.64557 1.92541 -54.77994 599.14245
7400.0000 -56.14992 -54.27530 1.87463 1.92404 -54.79131 600.20545
7405.0000 -57.07403 -54.76497 2.30906 1.94580 -54.61032 611.40768
7410.0000 -57.22628 -55.74867 1.47762 1.90518 -54.94823 576.04622
7415.0000 -56.56434 -54.83824 1.72609 1.86437 -55.28782 529.73825
7420.0000 -56.75374 -54.90185 1.85189 1.89504 -55.03264 544.45268
7425.0000 -56.62131 -54.90872 1.71260 1.92125 -54.81454 566.70323
7430.0000 -56.92038 -55.04584 1.87454 1.92691 -54.76745 586.27405
7435.0000 -56.65678 -54.95713 1.69966 1.90562 -54.94464 556.72631
7440.0000 -57.15229 -55.70584 1.44645 1.87143 -55.22907 520.27732
7445.0000 -57.24077 -55.95547 1.28530 1.83024 -55.57180 486.98749
7450.0000 -56.52211 -54.99407 1.52804 1.86703 -55.26572 536.74420
7455.0000 -56.49964 -55.03849 1.46115 1.90909 -54.91574 547.97518
7460.0000 -56.54665 -54.63122 1.91543 1.91650 -54.85408 586.39505
7465.0000 -56.21882 -54.86899 1.34983 1.93128 -54.73108 565.31803
7470.0000 -56.17709 -54.54451 1.63259 1.92245 -54.80455 538.94713
7475.0000 -55.96342 -54.35710 1.60632 1.98456 -54.28782 641.83515
7480.0000 -56.31871 -54.24489 2.07382 1.98803 -54.25896 632.27037
7485.0000 -55.79079 -53.91917 1.87162 2.06783 -53.59494 778.33172
7490.0000 -56.50037 -54.49256 2.00781 1.99071 -54.23659 645.00383
7495.0000 -57.00059 -55.13076 1.86983 1.93063 -54.73653 590.13043
7500.0000 -57.03510 -55.70972 1.32538 1.86280 -55.30091 529.50376
FREEZING PROCESS: loop number 31 T-loop= 558.00000000000000
main_MD> interactions number 31 at Temperature= 558.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.78948 0.74777 -1.13875
force_rgl> df(natom) 1.62931 -2.60596 -1.17007
7505.0000 -57.12543 -55.18004 1.94538 1.85786 -55.34195 502.52694
7510.0000 -56.92504 -54.93103 1.99401 1.89358 -55.04479 541.41788
7515.0000 -56.81475 -55.18696 1.62779 1.87515 -55.19816 532.48143
7520.0000 -56.69032 -55.63386 1.05646 1.88104 -55.14911 519.65389
7525.0000 -56.64014 -54.64994 1.99020 1.84298 -55.46581 487.30487
7530.0000 -56.87971 -54.94337 1.93634 1.87124 -55.23065 537.49384
7535.0000 -55.91792 -53.89281 2.02511 1.95472 -54.53609 639.83932
7540.0000 -56.84785 -55.23649 1.61136 1.94824 -54.59003 612.48618
7545.0000 -57.25938 -54.90516 2.35422 1.86457 -55.28618 541.85171
7550.0000 -56.14072 -53.67173 2.46899 1.96592 -54.44285 661.18171
7555.0000 -56.75745 -54.95546 1.80199 1.97642 -54.35553 624.81166
7560.0000 -57.07958 -55.37166 1.70792 1.83691 -55.51630 496.25642
7565.0000 -57.08083 -54.91755 2.16328 1.88024 -55.15574 543.59686
7570.0000 -56.36466 -55.08211 1.28255 1.90021 -54.98965 553.45999
7575.0000 -56.51496 -54.80384 1.71112 1.89192 -55.05860 559.39195
7580.0000 -56.44866 -54.76153 1.68712 1.90625 -54.93939 547.90566
7585.0000 -56.98057 -55.11480 1.86576 1.91431 -54.87233 583.62511
7590.0000 -56.85490 -55.62519 1.22970 1.85143 -55.39550 512.04699
7595.0000 -56.30218 -54.46869 1.83349 1.90290 -54.96721 576.18292
7600.0000 -56.85294 -55.29966 1.55328 1.88095 -55.14984 531.45957
7605.0000 -56.15617 -54.19811 1.95806 1.95985 -54.49343 612.45006
7610.0000 -56.19547 -53.90193 2.29355 2.01494 -54.03499 651.97248
7615.0000 -56.53938 -55.04675 1.49264 1.96127 -54.48155 636.83284
7620.0000 -56.61463 -54.92904 1.68559 1.92619 -54.77341 580.51300
7625.0000 -56.68006 -55.12798 1.55208 1.88700 -55.09954 539.86331
7630.0000 -56.88782 -55.48114 1.40668 1.86471 -55.28495 525.28406
7635.0000 -56.99789 -55.68106 1.31683 1.83656 -55.51924 512.57045
7640.0000 -57.16755 -56.11744 1.05011 1.81880 -55.66695 478.60798
7645.0000 -56.94952 -55.80932 1.14020 1.78274 -55.96697 413.32711
7650.0000 -56.44338 -55.12473 1.31865 1.86900 -55.24925 526.94085
7655.0000 -56.60318 -54.61261 1.99057 1.91631 -54.85563 564.07807
7660.0000 -56.18523 -54.91092 1.27432 1.94409 -54.62450 610.08523
7665.0000 -56.64519 -54.66591 1.97928 1.92922 -54.74822 598.44919
7670.0000 -56.92509 -55.03341 1.89168 1.90111 -54.98210 557.95308
7675.0000 -56.73443 -55.19739 1.53704 1.88766 -55.09404 530.08397
7680.0000 -56.70999 -55.43014 1.27985 1.85698 -55.34932 489.93342
7685.0000 -57.13212 -55.68511 1.44701 1.83340 -55.54551 513.89935
7690.0000 -57.01173 -55.46985 1.54188 1.81969 -55.65955 477.97685
7695.0000 -56.50201 -55.05405 1.44796 1.87407 -55.20707 511.28920
7700.0000 -56.61542 -54.87346 1.74196 1.88855 -55.08666 520.74477
7705.0000 -56.85024 -55.21603 1.63421 1.84297 -55.46588 515.54205
7710.0000 -56.95675 -55.44542 1.51133 1.88376 -55.12652 532.16211
7715.0000 -57.04071 -55.27663 1.76408 1.85478 -55.36757 485.03358
7720.0000 -56.87648 -54.72219 2.15430 1.90245 -54.97101 584.81061
7725.0000 -56.30034 -53.82536 2.47498 1.94602 -54.60845 630.12435
7730.0000 -56.11313 -53.84318 2.26996 2.03697 -53.85177 644.07246
7735.0000 -56.73133 -55.23773 1.49360 1.99840 -54.17267 631.38192
7740.0000 -57.02992 -55.83195 1.19796 1.83468 -55.53483 481.99155
7745.0000 -56.58833 -54.97863 1.60970 1.86227 -55.30532 495.85007
7750.0000 -56.41443 -55.15806 1.25636 1.87621 -55.18929 558.02381
FREEZING PROCESS: loop number 32 T-loop= 533.00000000000000
main_MD> interactions number 32 at Temperature= 533.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.35759 -0.49165 1.45013
force_rgl> df(natom) 0.51239 -0.35943 -0.89874
7755.0000 -56.37338 -54.55885 1.81453 1.92712 -54.76572 571.46366
7760.0000 -56.66665 -54.92629 1.74036 1.92013 -54.82389 581.66412
7765.0000 -56.99862 -55.44391 1.55471 1.85800 -55.34086 497.27573
7770.0000 -57.18731 -55.62005 1.56726 1.84528 -55.44667 487.41300
7775.0000 -56.91551 -55.38575 1.52976 1.84627 -55.43838 471.39624
7780.0000 -56.72013 -55.18603 1.53410 1.87025 -55.23893 509.79151
7785.0000 -56.20311 -54.85436 1.34875 1.93783 -54.67657 574.58550
7790.0000 -56.70381 -54.41089 2.29292 1.95416 -54.54072 586.88169
7795.0000 -56.62500 -55.22981 1.39520 1.93385 -54.70970 569.60385
7800.0000 -56.80359 -54.90498 1.89861 1.90274 -54.96855 586.04697
7805.0000 -56.82698 -55.39877 1.42821 1.88628 -55.10551 547.26510
7810.0000 -56.53494 -54.12312 2.41182 1.90587 -54.94256 570.39391
7815.0000 -56.12938 -54.16241 1.96697 2.01741 -54.01449 659.30959
7820.0000 -56.30170 -54.74296 1.55874 1.95500 -54.53375 598.24414
7825.0000 -56.56102 -54.98447 1.57655 1.90802 -54.92464 551.01383
7830.0000 -56.15934 -54.53655 1.62279 1.90267 -54.96914 589.92694
7835.0000 -56.84697 -55.55415 1.29282 1.87849 -55.17034 535.39962
7840.0000 -57.19195 -55.63993 1.55202 1.84630 -55.43813 488.33614
7845.0000 -56.93668 -55.30324 1.63344 1.82544 -55.61175 473.53619
7850.0000 -56.86763 -55.63184 1.23579 1.81624 -55.68825 454.39081
7855.0000 -57.13275 -55.62682 1.50593 1.80389 -55.79101 434.27209
7860.0000 -57.41602 -55.42332 1.99270 1.82569 -55.60965 476.65807
7865.0000 -57.20176 -55.11888 2.08289 1.84720 -55.43066 488.00424
7870.0000 -56.37222 -54.89477 1.47745 1.90634 -54.93861 562.31612
7875.0000 -56.61116 -54.67246 1.93870 1.89385 -55.04251 492.14332
7880.0000 -56.74156 -55.13730 1.60426 1.94102 -54.65008 596.72885
7885.0000 -57.47701 -55.84431 1.63270 1.83977 -55.49247 471.46813
7890.0000 -56.94929 -55.55214 1.39715 1.83438 -55.53733 504.12342
7895.0000 -57.24298 -56.21578 1.02720 1.76908 -56.08068 406.68596
7900.0000 -57.32977 -55.75402 1.57575 1.81329 -55.71279 445.84287
7905.0000 -56.68481 -55.39288 1.29193 1.84393 -55.45792 499.17562
7910.0000 -57.31057 -55.35785 1.95271 1.87795 -55.17482 542.50067
7915.0000 -56.93599 -55.00920 1.92679 1.88886 -55.08408 526.03937
7920.0000 -56.61345 -54.63834 1.97512 1.94876 -54.58568 617.09628
7925.0000 -56.26343 -54.32552 1.93792 1.95027 -54.57306 614.18308
7930.0000 -56.25331 -53.74250 2.51081 1.99975 -54.16139 666.55158
7935.0000 -55.87700 -54.03711 1.83989 2.03381 -53.87803 677.05930
7940.0000 -56.24690 -54.68393 1.56297 1.92480 -54.78506 578.36695
7945.0000 -56.71934 -54.91712 1.80222 1.93919 -54.66527 578.77354
7950.0000 -56.66596 -55.01223 1.65373 1.90887 -54.91754 545.14753
7955.0000 -57.12961 -55.46405 1.66556 1.88769 -55.09381 543.74050
7960.0000 -57.11612 -55.42722 1.68889 1.86458 -55.28609 526.00672
7965.0000 -56.49817 -55.03260 1.46556 1.89206 -55.05743 538.23267
7970.0000 -56.35751 -55.16453 1.19297 1.89838 -55.00481 560.37775
7975.0000 -57.06500 -55.61139 1.45361 1.84326 -55.46342 506.94787
7980.0000 -57.58754 -56.04861 1.53894 1.80273 -55.80065 464.24213
7985.0000 -56.75661 -55.59077 1.16584 1.77620 -56.02141 398.46440
7990.0000 -57.27141 -55.29877 1.97263 1.83862 -55.50206 479.95309
7995.0000 -56.78829 -55.30014 1.48815 1.87403 -55.20742 515.35636
8000.0000 -56.92428 -55.04379 1.88049 1.87037 -55.23792 529.90870
FREEZING PROCESS: loop number 33 T-loop= 508.00000000000000
main_MD> interactions number 33 at Temperature= 508.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.07722 0.56554 -1.90298
force_rgl> df(natom) -1.89563 0.72698 0.19864
8005.0000 -56.93735 -55.02518 1.91217 1.89312 -55.04858 545.87789
8010.0000 -56.64078 -54.67495 1.96582 1.89552 -55.02866 551.84767
8015.0000 -56.80409 -55.47451 1.32958 1.89416 -55.03992 555.45316
8020.0000 -56.37880 -55.08995 1.28885 1.85056 -55.40273 505.80496
8025.0000 -56.69232 -54.96842 1.72390 1.94246 -54.63812 626.37180
8030.0000 -57.25337 -55.43919 1.81418 1.88749 -55.09548 538.72609
8035.0000 -56.94065 -55.44170 1.49895 1.86857 -55.25284 507.01923
8040.0000 -56.27202 -54.65420 1.61782 1.89172 -55.06023 555.28213
8045.0000 -56.65284 -54.95299 1.69985 1.90655 -54.93684 561.88163
8050.0000 -56.60968 -54.98134 1.62834 1.89210 -55.05709 544.25921
8055.0000 -56.98133 -55.64248 1.33885 1.82939 -55.57886 482.95600
8060.0000 -56.56115 -55.01295 1.54820 1.85163 -55.39382 502.29237
8065.0000 -56.47480 -54.78682 1.68798 1.88761 -55.09445 548.50301
8070.0000 -56.33592 -54.68172 1.65419 1.90790 -54.92565 570.94282
8075.0000 -56.84551 -54.95362 1.89188 1.87654 -55.18654 525.12830
8080.0000 -56.84230 -55.11471 1.72759 1.89759 -55.01138 541.16581
8085.0000 -57.23817 -55.87690 1.36127 1.85445 -55.37033 489.42025
8090.0000 -57.28808 -55.82027 1.46782 1.79413 -55.87225 403.82006
8095.0000 -57.17500 -55.32413 1.85087 1.83772 -55.50958 474.24263
8100.0000 -56.50951 -55.12264 1.38687 1.84032 -55.48794 466.84912
8105.0000 -57.30463 -56.07406 1.23057 1.82224 -55.63833 472.60680
8110.0000 -57.19501 -55.72245 1.47255 1.79931 -55.82915 442.13606
8115.0000 -56.99620 -55.61364 1.38257 1.80511 -55.78087 433.99742
8120.0000 -56.95591 -55.07771 1.87820 1.86413 -55.28979 523.22486
8125.0000 -56.69940 -55.31373 1.38566 1.90044 -54.98770 557.00598
8130.0000 -56.92111 -55.45901 1.46210 1.85590 -55.35833 511.81769
8135.0000 -56.97063 -55.47287 1.49776 1.83656 -55.51921 470.55084
8140.0000 -56.23120 -54.75174 1.47946 1.88819 -55.08961 534.78805
8145.0000 -57.02864 -55.33849 1.69015 1.93972 -54.66092 594.52295
8150.0000 -56.79951 -55.42073 1.37878 1.83461 -55.53539 473.15461
8155.0000 -56.68813 -55.53215 1.15598 1.85973 -55.32643 494.87148
8160.0000 -56.96665 -55.80737 1.15928 1.83375 -55.54261 461.40942
8165.0000 -57.06376 -55.52115 1.54261 1.83863 -55.50200 473.83233
8170.0000 -57.16051 -55.44719 1.71332 1.85653 -55.35305 497.52439
8175.0000 -57.16726 -55.33685 1.83040 1.83757 -55.51084 470.61797
8180.0000 -56.74418 -55.47954 1.26464 1.84324 -55.46364 486.22273
8185.0000 -57.18415 -55.78544 1.39870 1.81957 -55.66057 450.40223
8190.0000 -57.39869 -56.04092 1.35777 1.82455 -55.61910 462.25442
8195.0000 -56.45567 -55.04662 1.40905 1.81768 -55.67628 470.94031
8200.0000 -57.17245 -55.46534 1.70712 1.85878 -55.33436 495.29394
8205.0000 -57.03938 -55.55256 1.48682 1.83616 -55.52254 491.33451
8210.0000 -57.04186 -55.69335 1.34852 1.81338 -55.71205 472.81733
8215.0000 -57.37376 -56.28555 1.08821 1.76808 -56.08899 399.52992
8220.0000 -57.11397 -55.61922 1.49475 1.76609 -56.10551 415.82616
8225.0000 -56.99295 -55.13009 1.86286 1.87259 -55.21942 557.43743
8230.0000 -56.98054 -55.45929 1.52125 1.86221 -55.30576 542.42486
8235.0000 -56.28007 -54.47026 1.80981 1.89274 -55.05175 554.74390
8240.0000 -56.56807 -54.72306 1.84501 1.88621 -55.10611 511.97311
8245.0000 -56.64302 -54.61433 2.02869 1.91101 -54.89978 577.30707
8250.0000 -56.90996 -55.02066 1.88930 1.93006 -54.74123 583.87462
FREEZING PROCESS: loop number 34 T-loop= 483.00000000000000
main_MD> interactions number 34 at Temperature= 483.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.19904 3.86193 3.69079
force_rgl> df(natom) -1.67967 1.19207 1.14200
8255.0000 -57.04398 -55.66306 1.38092 1.83778 -55.50903 482.17798
8260.0000 -56.87880 -55.40513 1.47367 1.83523 -55.53026 482.99922
8265.0000 -56.37137 -54.76064 1.61073 1.86718 -55.26444 496.07321
8270.0000 -56.18388 -54.50436 1.67953 1.94699 -54.60036 574.28632
8275.0000 -57.07658 -55.35265 1.72393 1.90527 -54.94754 539.16511
8280.0000 -56.61385 -55.01742 1.59644 1.88971 -55.07696 548.96573
8285.0000 -56.55221 -55.12595 1.42626 1.89618 -55.02318 550.03008
8290.0000 -57.05950 -55.16266 1.89684 1.86628 -55.27189 518.32318
8295.0000 -57.45981 -56.05286 1.40696 1.80319 -55.79685 451.56215
8300.0000 -57.34227 -55.69626 1.64601 1.78126 -55.97929 438.55704
8305.0000 -57.05700 -55.61756 1.43944 1.83155 -55.56090 490.66747
8310.0000 -56.84502 -55.30117 1.54385 1.81020 -55.73855 447.25485
8315.0000 -57.16522 -55.86007 1.30514 1.81480 -55.70030 451.08188
8320.0000 -57.02637 -55.38170 1.64466 1.82413 -55.62266 471.68069
8325.0000 -57.05286 -55.51425 1.53861 1.84747 -55.42842 477.16267
8330.0000 -56.50029 -54.75521 1.74508 1.87545 -55.19567 525.30263
8335.0000 -56.79983 -55.10784 1.69199 1.90885 -54.91774 555.78371
8340.0000 -56.88508 -55.27710 1.60797 1.89856 -55.00338 568.89302
8345.0000 -57.17138 -55.82409 1.34729 1.82672 -55.60107 464.36953
8350.0000 -57.39026 -55.48802 1.90224 1.81777 -55.67558 467.60693
8355.0000 -57.29430 -55.72148 1.57281 1.81701 -55.68188 459.33019
8360.0000 -56.53978 -55.11572 1.42406 1.85331 -55.37981 487.37190
8365.0000 -57.13858 -55.51276 1.62582 1.86294 -55.29971 496.20441
8370.0000 -57.38260 -56.24832 1.13428 1.78332 -55.96222 444.95211
8375.0000 -57.32345 -56.22120 1.10225 1.74849 -56.25198 391.89423
8380.0000 -57.11915 -55.79504 1.32410 1.77887 -55.99917 431.56853
8385.0000 -57.02069 -55.34349 1.67720 1.80846 -55.75302 441.26162
8390.0000 -56.98153 -55.21450 1.76702 1.85816 -55.33947 516.12552
8395.0000 -57.20592 -55.72447 1.48145 1.87953 -55.16164 584.06051
8400.0000 -57.03790 -55.50298 1.53491 1.80970 -55.74267 461.61142
8405.0000 -56.72858 -55.19692 1.53166 1.84811 -55.42310 509.72910
8410.0000 -57.04306 -55.55835 1.48472 1.84659 -55.43571 489.81055
8415.0000 -56.82854 -55.56414 1.26441 1.84207 -55.47336 495.69700
8420.0000 -57.13675 -55.94310 1.19365 1.79595 -55.85709 437.44594
8425.0000 -57.44319 -55.60777 1.83542 1.78694 -55.93206 424.80729
8430.0000 -56.92202 -55.71636 1.20566 1.79226 -55.88778 426.26065
8435.0000 -56.61982 -55.20937 1.41045 1.81683 -55.68340 446.34910
8440.0000 -56.61090 -55.07843 1.53247 1.89644 -55.02098 547.66518
8445.0000 -56.58098 -55.27744 1.30354 1.87018 -55.23951 512.87172
8450.0000 -56.60735 -54.44573 2.16161 1.86888 -55.25028 514.72221
8455.0000 -56.09180 -54.26290 1.82890 1.96154 -54.47934 630.65411
8460.0000 -56.04311 -55.06454 0.97857 1.95323 -54.54848 611.02216
8465.0000 -56.89347 -55.10317 1.79030 1.85381 -55.37572 499.18295
8470.0000 -57.22501 -55.30818 1.91683 1.88510 -55.11537 521.03407
8475.0000 -56.65268 -55.01630 1.63637 1.89751 -55.01209 546.19741
8480.0000 -56.86420 -55.23420 1.63000 1.88351 -55.12857 522.18208
8485.0000 -56.60798 -54.56533 2.04265 1.93654 -54.68730 577.76997
8490.0000 -56.34352 -55.01262 1.33090 1.90406 -54.95762 553.67463
8495.0000 -56.55139 -54.68790 1.86349 1.91647 -54.85432 577.37121
8500.0000 -56.14930 -54.88775 1.26154 1.94205 -54.64153 591.96447
FREEZING PROCESS: loop number 35 T-loop= 458.00000000000000
main_MD> interactions number 35 at Temperature= 458.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.17259 -3.74764 -2.64606
force_rgl> df(natom) 0.16457 -0.22954 4.49562
8505.0000 -56.88182 -55.30915 1.57267 1.90855 -54.92025 539.65302
8510.0000 -56.97204 -55.53166 1.44038 1.85118 -55.39760 495.38577
8515.0000 -57.08201 -55.32470 1.75731 1.83096 -55.56578 467.08730
8520.0000 -57.55303 -55.87821 1.67482 1.80740 -55.76182 456.33646
8525.0000 -56.58266 -55.33063 1.25203 1.79221 -55.88818 428.96765
8530.0000 -57.00881 -55.20594 1.80287 1.85418 -55.37261 519.16572
8535.0000 -57.36527 -56.07851 1.28676 1.81215 -55.72230 472.48204
8540.0000 -56.91780 -55.51682 1.40098 1.77978 -55.99165 420.30967
8545.0000 -57.50625 -55.77874 1.72751 1.82492 -55.61609 476.99918
8550.0000 -57.24974 -55.86144 1.38830 1.78704 -55.93123 431.78708
8555.0000 -57.01706 -55.74517 1.27189 1.81064 -55.73486 458.55743
8560.0000 -56.42789 -54.53576 1.89213 1.95938 -54.49732 609.32158
8565.0000 -56.58652 -54.57504 2.01148 1.94080 -54.65189 598.63680
8570.0000 -56.88932 -55.49290 1.39642 1.85436 -55.37110 511.11042
8575.0000 -57.02841 -55.45973 1.56868 1.83721 -55.51382 483.07507
8580.0000 -56.78868 -55.25277 1.53591 1.89106 -55.06572 569.53086
8585.0000 -57.11779 -55.72969 1.38810 1.82938 -55.57898 479.50198
8590.0000 -57.07524 -55.27068 1.80456 1.84570 -55.44314 493.39072
8595.0000 -56.96304 -55.50241 1.46064 1.85042 -55.40385 500.34519
8600.0000 -57.09718 -55.78675 1.31044 1.82650 -55.60294 466.15162
8605.0000 -57.23400 -55.89334 1.34065 1.80529 -55.77940 452.26539
8610.0000 -56.73303 -55.62260 1.11043 1.80763 -55.75990 450.57060
8615.0000 -57.44480 -55.92185 1.52295 1.80367 -55.79286 469.90290
8620.0000 -57.02892 -56.06683 0.96209 1.72413 -56.45466 370.08154
8625.0000 -57.20641 -55.62516 1.58125 1.81980 -55.65865 474.19199
8630.0000 -57.54977 -56.10026 1.44950 1.81066 -55.73474 467.19935
8635.0000 -57.80390 -56.58496 1.21893 1.71509 -56.52984 364.70844
8640.0000 -57.31478 -56.16110 1.15369 1.73158 -56.39266 369.17703
8645.0000 -57.43471 -56.24973 1.18497 1.76276 -56.13329 388.08123
8650.0000 -57.05944 -56.00071 1.05873 1.79973 -55.82564 436.96216
8655.0000 -57.41669 -56.29435 1.12234 1.74537 -56.27791 383.49361
8660.0000 -56.96959 -55.69385 1.27574 1.77939 -55.99492 410.17752
8665.0000 -56.69643 -55.48486 1.21157 1.82316 -55.63066 456.95730
8670.0000 -56.95410 -55.41454 1.53956 1.87124 -55.23068 530.34632
8675.0000 -57.29725 -55.58769 1.70957 1.80779 -55.75862 454.67550
8680.0000 -57.30783 -55.90952 1.39832 1.82232 -55.63772 481.29956
8685.0000 -57.35855 -55.64579 1.71276 1.80412 -55.78911 438.63743
8690.0000 -57.18396 -55.48399 1.69997 1.84599 -55.44077 480.85985
8695.0000 -57.22294 -56.09161 1.13133 1.82858 -55.58558 476.08094
8700.0000 -57.11637 -55.64918 1.46718 1.79517 -55.86358 415.20034
8705.0000 -57.45188 -56.23349 1.21840 1.80633 -55.77074 438.02031
8710.0000 -57.18491 -55.64095 1.54395 1.79161 -55.89323 415.32770
8715.0000 -56.82326 -55.14777 1.67549 1.84288 -55.46661 482.86082
8720.0000 -57.09731 -55.35985 1.73746 1.84004 -55.49022 475.93106
8725.0000 -57.40717 -56.25695 1.15022 1.79433 -55.87059 429.72925
8730.0000 -57.07443 -55.68999 1.38444 1.78665 -55.93447 427.73001
8735.0000 -57.19228 -55.82410 1.36818 1.82030 -55.65453 476.97766
8740.0000 -57.09341 -55.84789 1.24551 1.81412 -55.70595 468.79335
8745.0000 -57.12794 -55.86570 1.26223 1.82274 -55.63419 493.02953
8750.0000 -57.38694 -55.95384 1.43310 1.79803 -55.83978 453.87712
FREEZING PROCESS: loop number 36 T-loop= 433.00000000000000
main_MD> interactions number 36 at Temperature= 433.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.52571 1.94344 -1.35140
force_rgl> df(natom) 1.22290 1.09654 2.80011
8755.0000 -57.33663 -56.08264 1.25399 1.78370 -55.95899 403.62386
8760.0000 -57.57348 -56.03147 1.54201 1.77505 -56.03097 397.59657
8765.0000 -57.67199 -56.08134 1.59065 1.78935 -55.91204 450.27950
8770.0000 -57.10183 -55.66496 1.43686 1.81236 -55.72056 469.63927
8775.0000 -57.12891 -56.13013 0.99878 1.79721 -55.84665 456.27108
8780.0000 -57.08923 -55.89116 1.19806 1.81173 -55.72581 435.51989
8785.0000 -57.38146 -56.28221 1.09926 1.77716 -56.01345 403.75554
8790.0000 -57.17359 -55.86695 1.30664 1.79087 -55.89934 433.11195
8795.0000 -57.36050 -56.50419 0.85631 1.78377 -55.95846 413.50971
8800.0000 -57.38605 -55.90400 1.48205 1.78411 -55.95563 406.25588
8805.0000 -57.11037 -55.40379 1.70658 1.78641 -55.93643 436.00127
8810.0000 -56.94857 -55.49359 1.45497 1.82101 -55.64860 476.86380
8815.0000 -57.46440 -56.08822 1.37618 1.79925 -55.82962 430.93781
8820.0000 -57.12863 -55.38843 1.74020 1.80219 -55.80515 438.83480
8825.0000 -57.18572 -55.70226 1.48347 1.81264 -55.71824 441.93336
8830.0000 -57.41116 -56.23064 1.18053 1.79533 -55.86223 424.54773
8835.0000 -57.12961 -55.59838 1.53123 1.80414 -55.78893 473.91797
8840.0000 -57.77900 -56.67900 1.09999 1.75891 -56.16531 408.80324
8845.0000 -57.74754 -56.25482 1.49271 1.69640 -56.68536 339.47927
8850.0000 -57.45395 -56.48284 0.97111 1.74272 -56.30002 384.51664
8855.0000 -57.37369 -56.23342 1.14026 1.73368 -56.37516 362.67540
8860.0000 -57.33718 -55.86183 1.47534 1.74501 -56.28097 387.08471
8865.0000 -57.68215 -56.06065 1.62149 1.77833 -56.00369 425.13806
8870.0000 -56.98552 -55.83112 1.15440 1.80554 -55.77726 448.37834
8875.0000 -57.32950 -56.05107 1.27843 1.76878 -56.08312 403.09975
8880.0000 -57.51545 -56.36756 1.14789 1.76272 -56.13361 406.91263
8885.0000 -57.26484 -55.74418 1.52067 1.78842 -55.91975 423.88919
8890.0000 -56.67287 -54.82329 1.84958 1.87561 -55.19431 535.40222
8895.0000 -56.99278 -55.27121 1.72158 1.87159 -55.22777 510.95361
8900.0000 -57.11505 -55.87214 1.24291 1.84601 -55.44057 490.44355
8905.0000 -57.74265 -55.73836 2.00429 1.80494 -55.78226 431.34076
8910.0000 -57.07497 -55.57604 1.49894 1.82184 -55.64166 473.97682
8915.0000 -56.93799 -55.52327 1.41472 1.82221 -55.63861 468.13190
8920.0000 -57.08793 -55.83662 1.25131 1.83384 -55.54187 463.00537
8925.0000 -57.32341 -55.91601 1.40740 1.78195 -55.97357 432.92071
8930.0000 -57.37952 -55.84764 1.53189 1.77978 -55.99160 440.82421
8935.0000 -56.73462 -55.54654 1.18808 1.82892 -55.58277 490.51318
8940.0000 -56.71916 -55.16783 1.55133 1.84369 -55.45986 483.18975
8945.0000 -57.12017 -55.51705 1.60312 1.86313 -55.29810 516.02213
8950.0000 -56.88800 -54.95944 1.92856 1.85129 -55.39665 490.24342
8955.0000 -57.09807 -55.65323 1.44484 1.84663 -55.43542 497.09471
8960.0000 -57.17254 -55.76868 1.40385 1.79860 -55.83505 446.12627
8965.0000 -57.25522 -55.87621 1.37902 1.80101 -55.81500 481.77812
8970.0000 -57.19215 -55.69834 1.49381 1.83948 -55.49493 470.81534
8975.0000 -56.95001 -55.50327 1.44674 1.80461 -55.78506 424.01236
8980.0000 -57.17952 -55.75309 1.42644 1.81199 -55.72361 448.92608
8985.0000 -57.14444 -55.92693 1.21751 1.80545 -55.77804 442.16178
8990.0000 -56.98052 -55.72226 1.25826 1.80188 -55.80778 450.47075
8995.0000 -57.30135 -55.51191 1.78944 1.82190 -55.64116 462.85674
9000.0000 -57.39765 -56.32948 1.06817 1.80873 -55.75073 458.31319
FREEZING PROCESS: loop number 37 T-loop= 408.00000000000000
main_MD> interactions number 37 at Temperature= 408.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.09265 0.92003 -2.81807
force_rgl> df(natom) -0.05094 1.35660 -0.16964
9005.0000 -57.42270 -56.10770 1.31500 1.75658 -56.18468 405.72907
9010.0000 -57.45886 -56.22217 1.23669 1.78386 -55.95769 426.06541
9015.0000 -57.11864 -55.89486 1.22377 1.77025 -56.07096 410.89806
9020.0000 -57.24776 -55.96090 1.28686 1.78596 -55.94025 425.21850
9025.0000 -57.40240 -55.82056 1.58184 1.79851 -55.83578 461.25272
9030.0000 -56.95895 -55.78378 1.17517 1.80135 -55.81219 461.97624
9035.0000 -57.26520 -55.38642 1.87878 1.82359 -55.62709 472.70550
9040.0000 -57.73065 -56.28272 1.44793 1.80633 -55.77073 458.83203
9045.0000 -57.34063 -56.23864 1.10199 1.75116 -56.22973 375.56638
9050.0000 -57.70208 -56.26108 1.44100 1.73527 -56.36196 372.90017
9055.0000 -57.69705 -56.75541 0.94164 1.73003 -56.40560 376.37423
9060.0000 -57.66854 -56.60083 1.06771 1.67891 -56.83088 313.09514
9065.0000 -57.49208 -56.41373 1.07835 1.73941 -56.32753 383.83345
9070.0000 -57.52646 -56.46363 1.06283 1.70665 -56.60008 338.26618
9075.0000 -57.57418 -56.71187 0.86231 1.73540 -56.36089 370.11435
9080.0000 -57.14766 -56.06881 1.07885 1.71867 -56.50005 338.16180
9085.0000 -56.89093 -55.49879 1.39214 1.79359 -55.87673 424.80192
9090.0000 -57.44275 -55.90653 1.53622 1.80039 -55.82018 437.23707
9095.0000 -57.74785 -56.29618 1.45167 1.80170 -55.80923 441.84858
9100.0000 -57.18330 -55.78335 1.39995 1.79100 -55.89826 437.55922
9105.0000 -57.07033 -55.89814 1.17219 1.78079 -55.98325 417.69382
9110.0000 -57.33490 -55.69752 1.63739 1.79438 -55.87016 430.69688
9115.0000 -57.33238 -55.90806 1.42432 1.79191 -55.89075 427.42324
9120.0000 -57.42321 -56.05362 1.36959 1.77332 -56.04539 418.21923
9125.0000 -57.64137 -56.26955 1.37182 1.77465 -56.03429 413.15995
9130.0000 -57.45224 -56.12199 1.33024 1.76141 -56.14449 395.33570
9135.0000 -56.86739 -55.21942 1.64798 1.81323 -55.71332 454.92249
9140.0000 -57.15972 -55.91094 1.24879 1.83711 -55.51467 480.30749
9145.0000 -57.00356 -55.75554 1.24801 1.78395 -55.95692 433.88236
9150.0000 -56.90325 -55.52317 1.38008 1.83583 -55.52529 480.71654
9155.0000 -57.40753 -56.44973 0.95780 1.77456 -56.03503 416.09064
9160.0000 -57.47162 -56.26953 1.20209 1.72541 -56.44402 352.19954
9165.0000 -57.41059 -56.22660 1.18399 1.76303 -56.13103 409.13855
9170.0000 -57.38614 -56.03593 1.35021 1.74755 -56.25977 408.62959
9175.0000 -57.59868 -56.63282 0.96585 1.73604 -56.35557 378.05630
9180.0000 -57.58986 -56.33868 1.25119 1.74313 -56.29656 393.61768
9185.0000 -57.47484 -55.77379 1.70105 1.78427 -55.95430 443.66942
9190.0000 -57.28897 -56.00253 1.28644 1.82392 -55.62438 484.07874
9195.0000 -57.44383 -55.80444 1.63939 1.78930 -55.91240 453.11429
9200.0000 -57.11337 -55.78766 1.32571 1.80546 -55.77797 429.07560
9205.0000 -57.15016 -56.17343 0.97674 1.77960 -55.99317 414.52142
9210.0000 -57.09792 -55.72808 1.36984 1.79812 -55.83907 436.71749
9215.0000 -57.26284 -55.56554 1.69730 1.83413 -55.53944 465.14297
9220.0000 -57.17075 -55.95946 1.21129 1.83330 -55.54633 471.64765
9225.0000 -57.32174 -55.78382 1.53792 1.79656 -55.85199 448.54235
9230.0000 -57.26778 -56.08284 1.18494 1.79600 -55.85668 438.05814
9235.0000 -57.21456 -56.14894 1.06561 1.79799 -55.84014 430.93224
9240.0000 -57.09898 -55.99815 1.10082 1.78262 -55.96799 410.17002
9245.0000 -56.93625 -55.79371 1.14254 1.79201 -55.88991 428.23116
9250.0000 -57.20567 -55.73313 1.47253 1.81850 -55.66948 459.05001
FREEZING PROCESS: loop number 38 T-loop= 383.00000000000000
main_MD> interactions number 38 at Temperature= 383.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.07375 -0.27697 0.13571
force_rgl> df(natom) 4.92722 -0.40426 0.63390
9255.0000 -57.42882 -55.91346 1.51536 1.81270 -55.71775 454.58338
9260.0000 -57.53779 -56.25872 1.27907 1.74909 -56.24700 385.45198
9265.0000 -57.63478 -56.59888 1.03590 1.70497 -56.61407 332.28653
9270.0000 -57.44566 -56.33942 1.10624 1.72546 -56.44363 364.87554
9275.0000 -57.62127 -56.56025 1.06102 1.72425 -56.45366 351.74737
9280.0000 -57.52312 -56.10948 1.41364 1.74941 -56.24434 379.46755
9285.0000 -57.55383 -56.21563 1.33820 1.74577 -56.27457 378.24488
9290.0000 -57.80682 -56.82824 0.97857 1.73449 -56.36848 362.21917
9295.0000 -57.21546 -55.78021 1.43525 1.73812 -56.33825 376.73424
9300.0000 -56.79044 -55.76429 1.02615 1.82470 -55.61786 477.43733
9305.0000 -57.44478 -55.87726 1.56753 1.79553 -55.86061 415.98115
9310.0000 -57.61618 -56.15575 1.46043 1.78408 -55.95588 413.82818
9315.0000 -57.39833 -56.10544 1.29289 1.75721 -56.17939 388.21681
9320.0000 -57.57374 -56.12285 1.45088 1.75867 -56.16732 398.09448
9325.0000 -57.55441 -56.58966 0.96476 1.76923 -56.07938 401.85015
9330.0000 -57.65620 -56.58333 1.07287 1.70637 -56.60246 346.60924
9335.0000 -57.54880 -56.75010 0.79870 1.69988 -56.65642 354.26023
9340.0000 -57.91289 -56.71683 1.19607 1.69669 -56.68300 337.04548
9345.0000 -57.35481 -56.59220 0.76262 1.69194 -56.72253 320.27557
9350.0000 -57.72818 -56.48613 1.24205 1.69430 -56.70289 328.15641
9355.0000 -57.23777 -56.09723 1.14054 1.74336 -56.29467 394.85283
9360.0000 -57.96199 -56.85497 1.10702 1.74090 -56.31510 389.99794
9365.0000 -57.29636 -55.90526 1.39110 1.72903 -56.41393 393.44045
9370.0000 -57.47826 -55.79375 1.68451 1.82108 -55.64798 498.45558
9375.0000 -57.29825 -55.64501 1.65324 1.81884 -55.66662 452.45244
9380.0000 -57.38442 -56.18700 1.19742 1.77417 -56.03831 397.55476
9385.0000 -57.48055 -56.59661 0.88394 1.76647 -56.10240 396.87005
9390.0000 -57.67104 -56.64299 1.02806 1.70654 -56.60102 324.92582
9395.0000 -57.29849 -56.28368 1.01481 1.70799 -56.58896 331.32608
9400.0000 -57.65171 -56.32119 1.33052 1.74260 -56.30095 386.85576
9405.0000 -57.60057 -56.45973 1.14084 1.71401 -56.53883 350.17249
9410.0000 -57.42318 -56.13955 1.28363 1.76941 -56.07789 412.96940
9415.0000 -57.40881 -56.34828 1.06053 1.73839 -56.33604 384.96908
9420.0000 -57.75893 -56.20436 1.55458 1.74504 -56.28068 397.22287
9425.0000 -57.67767 -56.75711 0.92056 1.71740 -56.51069 356.46264
9430.0000 -57.64104 -56.55542 1.08562 1.72233 -56.46964 370.77454
9435.0000 -57.57006 -56.35517 1.21490 1.75955 -56.15995 395.08157
9440.0000 -57.36871 -56.14712 1.22159 1.73850 -56.33513 369.57550
9445.0000 -57.62845 -56.59398 1.03447 1.73774 -56.34139 367.49727
9450.0000 -57.34528 -56.15982 1.18546 1.72482 -56.44891 350.64581
9455.0000 -57.50745 -56.01775 1.48970 1.75893 -56.16515 385.54426
9460.0000 -57.27515 -56.31674 0.95841 1.76948 -56.07731 415.08181
9465.0000 -57.30150 -56.13604 1.16545 1.77749 -56.01069 417.66662
9470.0000 -57.32060 -56.11764 1.20297 1.74956 -56.24304 360.74592
9475.0000 -57.31400 -55.40144 1.91256 1.81299 -55.71534 442.81542
9480.0000 -57.67090 -56.26962 1.40128 1.78454 -55.95205 449.84082
9485.0000 -57.77098 -56.77892 0.99206 1.72352 -56.45974 374.31032
9490.0000 -57.75643 -56.54169 1.21474 1.72103 -56.48046 379.54803
9495.0000 -57.09989 -55.87195 1.22794 1.73567 -56.35865 380.49084
9500.0000 -56.94186 -55.96553 0.97633 1.79019 -55.90505 426.49566
FREEZING PROCESS: loop number 39 T-loop= 358.00000000000000
main_MD> interactions number 39 at Temperature= 358.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.67165 -2.07696 0.20308
force_rgl> df(natom) -0.73369 -0.56008 1.53545
9505.0000 -57.37484 -56.38245 0.99239 1.76218 -56.13804 400.31049
9510.0000 -57.63030 -56.18666 1.44363 1.74040 -56.31928 379.87567
9515.0000 -57.40479 -56.53785 0.86695 1.73441 -56.36915 375.53648
9520.0000 -57.75278 -56.69851 1.05427 1.69760 -56.67542 331.33910
9525.0000 -57.22264 -56.25720 0.96544 1.74376 -56.29137 376.58097
9530.0000 -57.62420 -56.34133 1.28286 1.71927 -56.49506 368.04511
9535.0000 -57.71824 -56.62051 1.09773 1.73932 -56.32824 391.47010
9540.0000 -57.56739 -56.45855 1.10885 1.72053 -56.48460 361.25470
9545.0000 -57.63260 -56.55294 1.07966 1.72215 -56.47115 369.42615
9550.0000 -57.50791 -56.45674 1.05117 1.73875 -56.33299 381.20009
9555.0000 -57.52856 -56.49307 1.03549 1.72823 -56.42053 364.42921
9560.0000 -57.66205 -56.91468 0.74737 1.69469 -56.69962 329.18284
9565.0000 -57.73742 -56.64607 1.09136 1.70480 -56.61552 328.85840
9570.0000 -57.69949 -56.75837 0.94112 1.69982 -56.65694 317.18105
9575.0000 -57.61004 -56.51103 1.09901 1.71119 -56.56228 341.13333
9580.0000 -57.57380 -55.90150 1.67230 1.74424 -56.28737 371.65970
9585.0000 -57.48175 -56.44305 1.03870 1.72455 -56.45113 360.07597
9590.0000 -57.21477 -56.29533 0.91945 1.73461 -56.36747 357.47210
9595.0000 -57.78679 -56.66881 1.11798 1.72198 -56.47258 340.20474
9600.0000 -57.70269 -56.53784 1.16486 1.71012 -56.57124 332.57683
9605.0000 -57.39604 -56.33109 1.06495 1.73013 -56.40471 359.46905
9610.0000 -57.25629 -56.06281 1.19349 1.74078 -56.31611 378.64108
9615.0000 -57.22426 -56.36233 0.86193 1.71962 -56.49218 323.74158
9620.0000 -57.36536 -56.15293 1.21243 1.75291 -56.21516 370.02686
9625.0000 -56.99217 -55.82891 1.16326 1.77853 -56.00204 379.12019
9630.0000 -57.45616 -55.82612 1.63004 1.81412 -55.70593 450.41890
9635.0000 -57.57899 -56.39060 1.18838 1.73335 -56.37795 370.82888
9640.0000 -57.80004 -56.39383 1.40621 1.73303 -56.38058 363.98102
9645.0000 -57.19029 -55.89709 1.29321 1.76814 -56.08849 382.59555
9650.0000 -57.69576 -56.35322 1.34254 1.75124 -56.22909 398.78709
9655.0000 -57.78732 -56.74549 1.04183 1.70398 -56.62233 341.19868
9660.0000 -57.50899 -56.53546 0.97353 1.68290 -56.79767 327.00562
9665.0000 -57.21678 -56.03479 1.18199 1.75272 -56.21680 401.35478
9670.0000 -57.56216 -56.35314 1.20902 1.76446 -56.11911 417.94021
9675.0000 -57.75050 -56.63982 1.11068 1.72658 -56.43430 355.95465
9680.0000 -57.81056 -56.53464 1.27592 1.72232 -56.46969 366.23801
9685.0000 -57.38068 -56.15110 1.22958 1.74378 -56.29120 379.00408
9690.0000 -57.62082 -56.04415 1.57667 1.74647 -56.26878 398.60295
9695.0000 -57.37494 -56.50643 0.86852 1.75676 -56.18317 414.89086
9700.0000 -57.69161 -56.66284 1.02877 1.71321 -56.54548 348.94100
9705.0000 -57.79527 -57.01276 0.78251 1.65540 -57.02649 282.72774
9710.0000 -57.63213 -56.38931 1.24282 1.67770 -56.84100 307.98516
9715.0000 -57.25388 -56.20734 1.04653 1.75568 -56.19212 403.81627
9720.0000 -57.12725 -56.14736 0.97989 1.73306 -56.38039 381.57566
9725.0000 -57.59370 -56.45600 1.13771 1.73946 -56.32714 374.36350
9730.0000 -57.59869 -56.61305 0.98564 1.72722 -56.42892 357.07500
9735.0000 -57.75869 -56.45328 1.30541 1.71704 -56.51364 360.07299
9740.0000 -57.34178 -56.33369 1.00809 1.74036 -56.31966 390.33430
9745.0000 -57.19466 -56.20645 0.98821 1.73745 -56.34387 369.30308
9750.0000 -57.51160 -56.49283 1.01876 1.73210 -56.38831 368.94400
FREEZING PROCESS: loop number 40 T-loop= 333.00000000000000
main_MD> interactions number 40 at Temperature= 333.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.35532 -0.44262 -1.59205
force_rgl> df(natom) -1.08628 -2.05341 0.04463
9755.0000 -57.36072 -56.40185 0.95887 1.71447 -56.53500 346.39125
9760.0000 -57.32427 -56.42889 0.89538 1.69836 -56.66909 311.48041
9765.0000 -57.43969 -56.52028 0.91941 1.72179 -56.47416 347.33720
9770.0000 -57.64965 -56.75732 0.89233 1.70997 -56.57247 339.47331
9775.0000 -57.58871 -56.87857 0.71014 1.68490 -56.78110 310.84466
9780.0000 -57.51893 -56.39327 1.12566 1.72020 -56.48738 341.86185
9785.0000 -57.38400 -56.28024 1.10376 1.74634 -56.26987 352.34440
9790.0000 -57.76877 -56.70586 1.06291 1.71468 -56.53325 342.72637
9795.0000 -57.74503 -56.70747 1.03755 1.69331 -56.71109 333.96830
9800.0000 -57.60637 -56.59744 1.00892 1.71089 -56.56485 341.90277
9805.0000 -57.60293 -56.75589 0.84704 1.68338 -56.79370 311.57969
9810.0000 -57.80813 -56.85340 0.95473 1.69835 -56.66919 314.52051
9815.0000 -57.68015 -56.72255 0.95760 1.67212 -56.88742 309.32607
9820.0000 -57.94995 -56.64564 1.30431 1.69318 -56.71219 335.45571
9825.0000 -57.27118 -56.36150 0.90969 1.71160 -56.55891 353.97309
9830.0000 -57.99006 -56.81638 1.17368 1.71527 -56.52841 359.51970
9835.0000 -58.02463 -57.26446 0.76017 1.66361 -56.95820 283.39161
9840.0000 -57.53676 -56.74260 0.79416 1.67644 -56.85143 301.41453
9845.0000 -57.62984 -56.88868 0.74116 1.67094 -56.89724 301.96998
9850.0000 -57.92151 -56.79842 1.12309 1.67689 -56.84770 314.14909
9855.0000 -57.40538 -56.28380 1.12158 1.72830 -56.41996 376.09137
9860.0000 -57.41032 -56.31042 1.09990 1.73639 -56.35264 376.70111
9865.0000 -57.62566 -56.32211 1.30355 1.72967 -56.40855 365.60895
9870.0000 -57.68317 -56.71871 0.96446 1.73291 -56.38161 380.14157
9875.0000 -57.34196 -56.21039 1.13158 1.72665 -56.43366 379.24259
9880.0000 -57.77559 -56.58697 1.18862 1.72754 -56.42625 365.58881
9885.0000 -57.62284 -56.18140 1.44145 1.74094 -56.31478 390.54844
9890.0000 -57.91966 -56.79015 1.12951 1.71231 -56.55297 353.28189
9895.0000 -57.44943 -56.61782 0.83161 1.71309 -56.54650 361.46811
9900.0000 -57.81495 -56.88064 0.93431 1.68865 -56.74987 319.82444
9905.0000 -57.92271 -56.98326 0.93945 1.67116 -56.89538 300.35019
9910.0000 -57.83952 -56.70128 1.13823 1.69992 -56.65606 335.71510
9915.0000 -57.69869 -56.66830 1.03039 1.69284 -56.71501 334.50583
9920.0000 -57.68800 -56.76000 0.92799 1.68407 -56.78797 316.54626
9925.0000 -57.96586 -57.16149 0.80437 1.67687 -56.84787 310.85938
9930.0000 -57.56707 -56.46762 1.09945 1.68506 -56.77974 319.52595
9935.0000 -58.03279 -56.89486 1.13793 1.68853 -56.75087 339.14492
9940.0000 -57.94544 -56.78686 1.15858 1.68269 -56.79943 322.59268
9945.0000 -57.80652 -56.89938 0.90714 1.69089 -56.73126 319.50054
9950.0000 -57.62131 -56.57909 1.04222 1.69440 -56.70204 337.51582
9955.0000 -57.40151 -56.23511 1.16639 1.71046 -56.56838 358.81404
9960.0000 -57.41795 -56.48165 0.93630 1.72979 -56.40761 371.73428
9965.0000 -57.61951 -56.41388 1.20563 1.71117 -56.56251 352.11798
9970.0000 -57.32214 -56.43763 0.88451 1.75839 -56.16957 379.56243
9975.0000 -57.36692 -56.40303 0.96389 1.72645 -56.43537 362.21232
9980.0000 -57.85993 -56.73500 1.12493 1.70480 -56.61552 339.31546
9985.0000 -57.65597 -56.63599 1.01998 1.70885 -56.58179 356.17257
9990.0000 -57.48878 -56.54718 0.94160 1.71475 -56.53273 360.09119
9995.0000 -57.72232 -56.21969 1.50263 1.71545 -56.52689 361.25847
10000.0000 -57.77183 -56.51087 1.26096 1.70713 -56.59611 351.91999
FREEZING PROCESS: loop number 41 T-loop= 308.00000000000000
main_MD> interactions number 41 at Temperature= 308.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.13077 0.42586 -0.42718
force_rgl> df(natom) -1.14158 -0.22393 -1.50664
10005.0000 -57.62944 -56.43544 1.19400 1.72158 -56.47586 361.33095
10010.0000 -57.78080 -56.60982 1.17098 1.71353 -56.54285 369.71726
10015.0000 -57.59927 -56.70161 0.89767 1.69201 -56.72194 337.44427
10020.0000 -57.88838 -57.12411 0.76427 1.66861 -56.91664 301.26684
10025.0000 -58.06134 -57.14519 0.91615 1.63040 -57.23452 251.01444
10030.0000 -57.92550 -57.00043 0.92507 1.64817 -57.08665 273.23510
10035.0000 -58.01380 -57.18197 0.83183 1.66271 -56.96567 293.17586
10040.0000 -57.71621 -56.79840 0.91782 1.68910 -56.74610 330.50432
10045.0000 -57.83074 -56.89095 0.93979 1.68789 -56.75618 320.00780
10050.0000 -57.51823 -56.37794 1.14030 1.69497 -56.69728 314.99225
10055.0000 -57.51522 -56.73951 0.77571 1.70385 -56.62337 323.26124
10060.0000 -57.55485 -56.46331 1.09154 1.70014 -56.65427 316.20016
10065.0000 -57.61480 -56.47793 1.13687 1.71332 -56.54461 346.36376
10070.0000 -57.72652 -56.64242 1.08410 1.69271 -56.71610 333.51589
10075.0000 -58.10393 -57.29328 0.81065 1.65532 -57.02717 278.47481
10080.0000 -57.93678 -56.69873 1.23805 1.66244 -56.96793 287.21354
10085.0000 -57.63350 -56.69922 0.93428 1.68684 -56.76490 317.62357
10090.0000 -57.78329 -57.00674 0.77654 1.67957 -56.82540 299.39606
10095.0000 -57.96176 -57.02382 0.93794 1.65079 -57.06487 271.00655
10100.0000 -58.01504 -57.02754 0.98750 1.66937 -56.91030 300.24596
10105.0000 -58.26631 -57.11159 1.15472 1.68327 -56.79464 314.61681
10110.0000 -57.85435 -57.01637 0.83798 1.66226 -56.96945 289.34698
10115.0000 -58.11073 -57.08319 1.02754 1.67851 -56.83423 310.91525
10120.0000 -57.78905 -56.92447 0.86458 1.65385 -57.03945 280.78605
10125.0000 -57.64465 -56.68217 0.96247 1.68676 -56.76557 320.90589
10130.0000 -58.18258 -57.35881 0.82377 1.65818 -57.00341 280.97054
10135.0000 -57.90968 -57.12455 0.78513 1.64130 -57.14380 259.25091
10140.0000 -57.76145 -56.70182 1.05963 1.66465 -56.94951 287.93810
10145.0000 -57.42822 -56.61098 0.81723 1.68357 -56.79213 317.00930
10150.0000 -57.81449 -56.89903 0.91546 1.69615 -56.68748 332.22183
10155.0000 -57.43588 -56.60084 0.83503 1.69426 -56.70315 318.98301
10160.0000 -57.83722 -56.58710 1.25012 1.72444 -56.45206 375.64924
10165.0000 -57.67708 -56.11211 1.56497 1.74208 -56.30533 377.24872
10170.0000 -57.85787 -57.02080 0.83706 1.69325 -56.71157 331.29012
10175.0000 -57.59256 -56.65292 0.93964 1.68556 -56.77554 319.93922
10180.0000 -57.94613 -57.04342 0.90271 1.66798 -56.92187 298.02982
10185.0000 -57.81277 -56.97253 0.84024 1.66786 -56.92285 296.03715
10190.0000 -57.92035 -56.98702 0.93332 1.67257 -56.88366 291.87392
10195.0000 -57.69620 -56.83312 0.86308 1.67811 -56.83760 308.25208
10200.0000 -57.79759 -56.97335 0.82424 1.66691 -56.93078 294.21938
10205.0000 -57.69175 -56.70608 0.98567 1.67712 -56.84584 308.84178
10210.0000 -57.88571 -56.72789 1.15782 1.67100 -56.89674 308.04755
10215.0000 -57.69244 -56.66618 1.02626 1.68251 -56.80091 320.72691
10220.0000 -57.72786 -56.83608 0.89178 1.69232 -56.71935 331.60795
10225.0000 -57.85176 -56.91869 0.93307 1.67944 -56.82653 313.27225
10230.0000 -57.49108 -56.34024 1.15084 1.71147 -56.55996 361.28571
10235.0000 -57.87136 -56.84329 1.02807 1.70232 -56.63612 328.78666
10240.0000 -57.47778 -56.43278 1.04500 1.69437 -56.70229 309.30669
10245.0000 -57.50795 -56.41826 1.08969 1.72168 -56.47507 354.59307
10250.0000 -57.64645 -56.73768 0.90877 1.69057 -56.73386 308.58288
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 4 [min], 20.4808257 [s].
main_MD> Deallocating global variables
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