dammif ........................................... : r9217
Log opened ....................................... : 11-May-2017, 12:31:28
Run as:
Full command line ................................ : dammif D2-AdhE.out -m=slow -s=P2 --max-bead-count=70000 -u=angstrom --omit-solvent -p=D2-AdhE1_9 --seed=1287145461
Configuration mode ............................... : slow
Angular units .................................... : angstrom
Prefix ........................................... : D2-AdhE1_9
Omit output of solvent ........................... : yes
GNOM input file .................................. : D2-AdhE.out
Expected particle anisometry ..................... : unknown
Enforced particle symmetry ....................... : p2
Pseudo-chains in PDB output ...................... : no
GNOM file:
Title ............................................ :
Angular units .................................... : angstrom
Maximum particle diameter [Angstrom] ............. : 169.
Radius of gyration [Angstrom] .................... : 35.5
Minimum s [1/Angstrom] ........................... : 0.00
Maximum s [1/Angstrom] ........................... : 0.286
Configured as:
Shape class ...................................... : compact
Approx. shape dimension (ri) ..................... : 0.00
Approx. shape dimension (ro) ..................... : 84.3
Approx. shape dimension (h) ...................... : 0.00
Dummy atom radius ................................ : 3.50
Number of spherical harmonics .................... : 20
Proportion of the curve to be fitted ............. : 1.00
Maximum s [1/Angstrom] ........................... : 0.286
Number of shannon channels ....................... : 16
Number of supporting points in spline approx. .... : 16
Probability that the spline approx. fits the data  : 0.650E-14
Weighting function ............................... : emphasised porod
Initial random seed .............................. : 1287145461
Maximum number of steps .......................... : 400
Maximum number of iterations ..................... : 100000
Minumum number of successes ...................... : 50
Maximum number of successes ...................... : 10000
Temperature scheduling factor .................... : 0.950
Rg penalty weight ................................ : 0.100E-02
Center penalty weight ............................ : 0.100E-04
Looseness penalty weight ......................... : 0.100E-01
Anisometry penalty weight ........................ : 0.00
Constant subtraction ............................. : 0.520E-04
Annealing procedure status ....................... : warming up
Initial Rg penalty ............................... : 898.
Initial Center penalty ........................... : 0.110E-01
Initial Looseness penalty ........................ : 0.416E-02
Annealing procedure status ....................... : started
Step:    1, T: 0.213E-03, 5621/16489, Succ: 10000, Eval: 18790, CPU: 00:00:00
 Rf: 0.6244, Los: 0.09, Rg:*****, Cen: 0.14, Ani: 0.00, Fit: 1.0057
Step:    2, T: 0.202E-03, 3650/16583, Succ: 10000, Eval: 46650, CPU: 00:00:03
 Rf: 0.5554, Los: 0.12, Rg:*****, Cen: 1.37, Ani: 0.00, Fit: 0.7954
Step:    3, T: 0.192E-03, 1872/16583, Succ: 10000, Eval: 81758, CPU: 00:00:05
 Rf: 0.4032, Los: 0.13, Rg:63.23, Cen: 2.01, Ani: 0.00, Fit: 0.4779
Step:    4, T: 0.183E-03, 720/16603, Succ: 10000, Eval: 116744, CPU: 00:00:07
 Rf: 0.1321, Los: 0.14, Rg: 0.00, Cen: 0.13, Ani: 0.00, Fit: 0.1426
Step:    5, T: 0.173E-03, 707/16711, Succ: 10000, Eval: 146512, CPU: 00:00:08
 Rf: 0.1030, Los: 0.13, Rg: 0.09, Cen: 3.23, Ani: 0.00, Fit: 0.1154
Step:    6, T: 0.165E-03, 690/16785, Succ: 10000, Eval: 175580, CPU: 00:00:09
 Rf: 0.1043, Los: 0.13, Rg: 0.03, Cen: 5.80, Ani: 0.00, Fit: 0.1162
Step:    7, T: 0.157E-03, 676/16865, Succ: 10000, Eval: 205346, CPU: 00:00:10
 Rf: 0.1050, Los: 0.13, Rg: 0.04, Cen:12.61, Ani: 0.00, Fit: 0.1178
Step:    8, T: 0.149E-03, 674/16957, Succ: 10000, Eval: 234364, CPU: 00:00:11
 Rf: 0.0814, Los: 0.11, Rg: 0.00, Cen:13.91, Ani: 0.00, Fit: 0.0951
Step:    9, T: 0.141E-03, 636/16965, Succ: 10000, Eval: 263204, CPU: 00:00:12
 Rf: 0.0859, Los: 0.12, Rg: 0.01, Cen:13.43, Ani: 0.00, Fit: 0.1000
Step:   10, T: 0.134E-03, 639/16975, Succ: 10000, Eval: 292398, CPU: 00:00:13
 Rf: 0.0904, Los: 0.14, Rg: 0.00, Cen:18.80, Ani: 0.00, Fit: 0.1057
Step:   11, T: 0.128E-03, 627/17019, Succ: 10000, Eval: 321900, CPU: 00:00:14
 Rf: 0.0614, Los: 0.13, Rg: 0.45, Cen:18.81, Ani: 0.00, Fit: 0.0830
Step:   12, T: 0.121E-03, 598/17063, Succ: 10000, Eval: 350966, CPU: 00:00:15
 Rf: 0.0634, Los: 0.14, Rg: 0.32, Cen:21.49, Ani: 0.00, Fit: 0.0851
Step:   13, T: 0.115E-03, 596/17071, Succ: 10000, Eval: 379778, CPU: 00:00:16
 Rf: 0.0648, Los: 0.14, Rg: 0.04, Cen:23.89, Ani: 0.00, Fit: 0.0851
Step:   14, T: 0.109E-03, 580/17093, Succ: 10000, Eval: 409754, CPU: 00:00:17
 Rf: 0.0622, Los: 0.14, Rg: 0.18, Cen:22.88, Ani: 0.00, Fit: 0.0841
Step:   15, T: 0.104E-03, 596/17093, Succ: 10000, Eval: 439456, CPU: 00:00:18
 Rf: 0.0627, Los: 0.14, Rg: 0.01, Cen:22.99, Ani: 0.00, Fit: 0.0832
Step:   16, T: 0.987E-04, 623/17107, Succ: 10000, Eval: 469342, CPU: 00:00:19
 Rf: 0.0561, Los: 0.13, Rg: 0.00, Cen:22.74, Ani: 0.00, Fit: 0.0770
Step:   17, T: 0.937E-04, 620/17111, Succ: 10000, Eval: 499088, CPU: 00:00:20
 Rf: 0.0525, Los: 0.12, Rg: 0.05, Cen:25.56, Ani: 0.00, Fit: 0.0734
Step:   18, T: 0.890E-04, 587/17111, Succ: 10000, Eval: 527834, CPU: 00:00:20
 Rf: 0.0490, Los: 0.12, Rg: 0.00, Cen:26.64, Ani: 0.00, Fit: 0.0714
Step:   19, T: 0.846E-04, 576/17113, Succ: 10000, Eval: 558782, CPU: 00:00:22
 Rf: 0.0501, Los: 0.13, Rg: 0.01, Cen:24.38, Ani: 0.00, Fit: 0.0732
Step:   20, T: 0.804E-04, 592/17161, Succ: 10000, Eval: 588388, CPU: 00:00:22
 Rf: 0.0571, Los: 0.13, Rg: 0.09, Cen:19.82, Ani: 0.00, Fit: 0.0781
Step:   21, T: 0.763E-04, 595/17185, Succ: 10000, Eval: 616518, CPU: 00:00:23
 Rf: 0.0462, Los: 0.12, Rg: 0.05, Cen:21.03, Ani: 0.00, Fit: 0.0688
Step:   22, T: 0.725E-04, 564/17185, Succ: 10000, Eval: 646512, CPU: 00:00:24
 Rf: 0.0513, Los: 0.13, Rg: 0.03, Cen:26.62, Ani: 0.00, Fit: 0.0739
Step:   23, T: 0.689E-04, 582/17263, Succ: 10000, Eval: 675342, CPU: 00:00:25
 Rf: 0.0401, Los: 0.11, Rg: 0.00, Cen:28.70, Ani: 0.00, Fit: 0.0637
Step:   24, T: 0.655E-04, 599/17477, Succ: 10000, Eval: 703844, CPU: 00:00:26
 Rf: 0.0435, Los: 0.12, Rg: 0.00, Cen:25.96, Ani: 0.00, Fit: 0.0679
Step:   25, T: 0.622E-04, 578/17577, Succ: 10000, Eval: 732618, CPU: 00:00:27
 Rf: 0.0409, Los: 0.12, Rg: 0.01, Cen:25.18, Ani: 0.00, Fit: 0.0656
Step:   26, T: 0.591E-04, 547/17605, Succ: 10000, Eval: 761268, CPU: 00:00:28
 Rf: 0.0285, Los: 0.13, Rg: 0.01, Cen:25.68, Ani: 0.00, Fit: 0.0600
Step:   27, T: 0.561E-04, 563/17635, Succ: 10000, Eval: 789906, CPU: 00:00:29
 Rf: 0.0291, Los: 0.13, Rg: 0.09, Cen:24.71, Ani: 0.00, Fit: 0.0610
Step:   28, T: 0.533E-04, 568/17647, Succ: 10000, Eval: 817540, CPU: 00:00:30
 Rf: 0.0359, Los: 0.13, Rg: 0.00, Cen:24.28, Ani: 0.00, Fit: 0.0640
Step:   29, T: 0.506E-04, 552/17653, Succ: 10000, Eval: 847598, CPU: 00:00:31
 Rf: 0.0275, Los: 0.12, Rg: 0.01, Cen:22.81, Ani: 0.00, Fit: 0.0582
Step:   30, T: 0.481E-04, 562/17665, Succ: 10000, Eval: 876972, CPU: 00:00:32
 Rf: 0.0333, Los: 0.12, Rg: 0.00, Cen:22.31, Ani: 0.00, Fit: 0.0614
Step:   31, T: 0.457E-04, 599/17685, Succ: 10000, Eval: 905544, CPU: 00:00:33
 Rf: 0.0278, Los: 0.10, Rg: 0.03, Cen:22.17, Ani: 0.00, Fit: 0.0547
Step:   32, T: 0.434E-04, 573/17725, Succ: 10000, Eval: 934684, CPU: 00:00:34
 Rf: 0.0235, Los: 0.11, Rg: 0.00, Cen:23.19, Ani: 0.00, Fit: 0.0538
Step:   33, T: 0.413E-04, 559/17745, Succ: 10000, Eval: 963882, CPU: 00:00:35
 Rf: 0.0271, Los: 0.11, Rg: 0.00, Cen:16.67, Ani: 0.00, Fit: 0.0555
Step:   34, T: 0.392E-04, 560/17747, Succ: 10000, Eval: 992046, CPU: 00:00:35
 Rf: 0.0192, Los: 0.10, Rg: 0.00, Cen:10.68, Ani: 0.00, Fit: 0.0500
Step:   35, T: 0.372E-04, 575/17761, Succ: 10000, Eval: 1021274, CPU: 00:00:36
 Rf: 0.0212, Los: 0.10, Rg: 0.00, Cen: 6.11, Ani: 0.00, Fit: 0.0503
Step:   36, T: 0.354E-04, 559/17797, Succ: 10000, Eval: 1050364, CPU: 00:00:37
 Rf: 0.0269, Los: 0.10, Rg: 0.00, Cen: 0.50, Ani: 0.00, Fit: 0.0525
Step:   37, T: 0.336E-04, 570/17805, Succ: 10000, Eval: 1078762, CPU: 00:00:38
 Rf: 0.0185, Los: 0.09, Rg: 0.01, Cen: 1.91, Ani: 0.00, Fit: 0.0470
Step:   38, T: 0.319E-04, 535/17819, Succ: 10000, Eval: 1109022, CPU: 00:00:39
 Rf: 0.0198, Los: 0.11, Rg: 0.00, Cen: 0.72, Ani: 0.00, Fit: 0.0504
Step:   39, T: 0.303E-04, 583/17819, Succ: 10000, Eval: 1139178, CPU: 00:00:40
 Rf: 0.0274, Los: 0.09, Rg: 0.02, Cen: 1.78, Ani: 0.00, Fit: 0.0504
Step:   40, T: 0.288E-04, 538/17819, Succ: 10000, Eval: 1169722, CPU: 00:00:41
 Rf: 0.0221, Los: 0.11, Rg: 0.01, Cen: 4.97, Ani: 0.00, Fit: 0.0513
Step:   41, T: 0.274E-04, 567/17819, Succ: 10000, Eval: 1199026, CPU: 00:00:42
 Rf: 0.0152, Los: 0.10, Rg: 0.00, Cen: 2.32, Ani: 0.00, Fit: 0.0467
Step:   42, T: 0.260E-04, 550/17819, Succ: 10000, Eval: 1227962, CPU: 00:00:43
 Rf: 0.0188, Los: 0.09, Rg: 0.00, Cen: 0.07, Ani: 0.00, Fit: 0.0466
Step:   43, T: 0.247E-04, 560/17819, Succ: 10000, Eval: 1258864, CPU: 00:00:44
 Rf: 0.0205, Los: 0.09, Rg: 0.01, Cen: 0.64, Ani: 0.00, Fit: 0.0476
Step:   44, T: 0.235E-04, 572/17819, Succ: 10000, Eval: 1287602, CPU: 00:00:44
 Rf: 0.0161, Los: 0.09, Rg: 0.00, Cen: 0.66, Ani: 0.00, Fit: 0.0448
Step:   45, T: 0.223E-04, 555/17821, Succ: 10000, Eval: 1318056, CPU: 00:00:45
 Rf: 0.0133, Los: 0.10, Rg: 0.03, Cen: 0.25, Ani: 0.00, Fit: 0.0465
Step:   46, T: 0.212E-04, 535/17821, Succ: 10000, Eval: 1347898, CPU: 00:00:46
 Rf: 0.0147, Los: 0.10, Rg: 0.00, Cen: 0.38, Ani: 0.00, Fit: 0.0468
Step:   47, T: 0.201E-04, 581/17821, Succ: 10000, Eval: 1378004, CPU: 00:00:47
 Rf: 0.0115, Los: 0.07, Rg: 0.00, Cen: 1.00, Ani: 0.00, Fit: 0.0388
Step:   48, T: 0.191E-04, 576/17821, Succ: 10000, Eval: 1409188, CPU: 00:00:48
 Rf: 0.0123, Los: 0.08, Rg: 0.01, Cen: 0.25, Ani: 0.00, Fit: 0.0418
Step:   49, T: 0.182E-04, 572/17821, Succ: 10000, Eval: 1440244, CPU: 00:00:49
 Rf: 0.0150, Los: 0.08, Rg: 0.00, Cen: 0.31, Ani: 0.00, Fit: 0.0429
Step:   50, T: 0.172E-04, 576/17831, Succ: 10000, Eval: 1472128, CPU: 00:00:50
 Rf: 0.0085, Los: 0.08, Rg: 0.01, Cen: 2.07, Ani: 0.00, Fit: 0.0406
Step:   51, T: 0.164E-04, 596/17833, Succ: 10000, Eval: 1503528, CPU: 00:00:51
 Rf: 0.0103, Los: 0.07, Rg: 0.01, Cen: 0.03, Ani: 0.00, Fit: 0.0392
Step:   52, T: 0.156E-04, 568/17833, Succ: 10000, Eval: 1534424, CPU: 00:00:52
 Rf: 0.0109, Los: 0.07, Rg: 0.00, Cen: 0.56, Ani: 0.00, Fit: 0.0401
Step:   53, T: 0.148E-04, 565/17833, Succ: 10000, Eval: 1565020, CPU: 00:00:52
 Rf: 0.0073, Los: 0.07, Rg: 0.01, Cen: 0.57, Ani: 0.00, Fit: 0.0379
Step:   54, T: 0.140E-04, 584/17833, Succ: 10000, Eval: 1597840, CPU: 00:00:53
 Rf: 0.0121, Los: 0.07, Rg: 0.02, Cen: 0.59, Ani: 0.00, Fit: 0.0388
Step:   55, T: 0.133E-04, 592/17833, Succ: 10000, Eval: 1629822, CPU: 00:00:54
 Rf: 0.0079, Los: 0.06, Rg: 0.01, Cen: 0.49, Ani: 0.00, Fit: 0.0370
Step:   56, T: 0.127E-04, 588/17833, Succ: 10000, Eval: 1663504, CPU: 00:00:55
 Rf: 0.0085, Los: 0.06, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0357
Step:   57, T: 0.120E-04, 603/17833, Succ: 10000, Eval: 1697022, CPU: 00:00:56
 Rf: 0.0082, Los: 0.06, Rg: 0.00, Cen: 1.14, Ani: 0.00, Fit: 0.0343
Step:   58, T: 0.114E-04, 564/17833, Succ: 10000, Eval: 1732270, CPU: 00:00:57
 Rf: 0.0072, Los: 0.07, Rg: 0.00, Cen: 0.35, Ani: 0.00, Fit: 0.0375
Step:   59, T: 0.109E-04, 611/17837, Succ: 10000, Eval: 1766940, CPU: 00:00:58
 Rf: 0.0117, Los: 0.06, Rg: 0.01, Cen: 0.15, Ani: 0.00, Fit: 0.0354
Step:   60, T: 0.103E-04, 579/17837, Succ: 10000, Eval: 1801152, CPU: 00:00:59
 Rf: 0.0079, Los: 0.06, Rg: 0.00, Cen: 0.26, Ani: 0.00, Fit: 0.0354
Step:   61, T: 0.981E-05, 597/17837, Succ: 10000, Eval: 1838150, CPU: 00:01:00
 Rf: 0.0065, Los: 0.06, Rg: 0.00, Cen: 0.12, Ani: 0.00, Fit: 0.0339
Step:   62, T: 0.932E-05, 619/17837, Succ: 10000, Eval: 1874378, CPU: 00:01:01
 Rf: 0.0046, Los: 0.05, Rg: 0.00, Cen: 1.12, Ani: 0.00, Fit: 0.0305
Step:   63, T: 0.885E-05, 596/17837, Succ: 10000, Eval: 1911442, CPU: 00:01:02
 Rf: 0.0058, Los: 0.06, Rg: 0.00, Cen: 0.49, Ani: 0.00, Fit: 0.0341
Step:   64, T: 0.841E-05, 604/17837, Succ: 10000, Eval: 1950506, CPU: 00:01:03
 Rf: 0.0077, Los: 0.05, Rg: 0.00, Cen: 1.73, Ani: 0.00, Fit: 0.0329
Step:   65, T: 0.799E-05, 632/17837, Succ: 10000, Eval: 1989758, CPU: 00:01:04
 Rf: 0.0065, Los: 0.05, Rg: 0.00, Cen: 0.61, Ani: 0.00, Fit: 0.0316
Step:   66, T: 0.759E-05, 603/17837, Succ: 10000, Eval: 2029856, CPU: 00:01:05
 Rf: 0.0071, Los: 0.05, Rg: 0.00, Cen: 0.42, Ani: 0.00, Fit: 0.0320
Step:   67, T: 0.721E-05, 619/17847, Succ: 10000, Eval: 2072156, CPU: 00:01:07
 Rf: 0.0058, Los: 0.05, Rg: 0.00, Cen: 0.58, Ani: 0.00, Fit: 0.0311
Step:   68, T: 0.685E-05, 633/17847, Succ: 10000, Eval: 2115074, CPU: 00:01:08
 Rf: 0.0067, Los: 0.04, Rg: 0.00, Cen: 0.51, Ani: 0.00, Fit: 0.0308
Step:   69, T: 0.651E-05, 632/17847, Succ: 10000, Eval: 2158076, CPU: 00:01:09
 Rf: 0.0041, Los: 0.04, Rg: 0.00, Cen: 0.71, Ani: 0.00, Fit: 0.0282
Step:   70, T: 0.618E-05, 621/17847, Succ: 10000, Eval: 2203156, CPU: 00:01:10
 Rf: 0.0059, Los: 0.04, Rg: 0.00, Cen: 0.49, Ani: 0.00, Fit: 0.0295
Step:   71, T: 0.587E-05, 640/17847, Succ: 10000, Eval: 2247972, CPU: 00:01:11
 Rf: 0.0040, Los: 0.04, Rg: 0.00, Cen: 0.83, Ani: 0.00, Fit: 0.0285
Step:   72, T: 0.558E-05, 628/17847, Succ: 10000, Eval: 2294956, CPU: 00:01:13
 Rf: 0.0054, Los: 0.05, Rg: 0.00, Cen: 0.10, Ani: 0.00, Fit: 0.0312
Step:   73, T: 0.530E-05, 636/17847, Succ: 10000, Eval: 2343600, CPU: 00:01:14
 Rf: 0.0045, Los: 0.04, Rg: 0.00, Cen: 0.76, Ani: 0.00, Fit: 0.0291
Step:   74, T: 0.504E-05, 628/17847, Succ: 10000, Eval: 2395504, CPU: 00:01:16
 Rf: 0.0048, Los: 0.04, Rg: 0.01, Cen: 0.44, Ani: 0.00, Fit: 0.0295
Step:   75, T: 0.478E-05, 645/17847, Succ: 10000, Eval: 2447858, CPU: 00:01:17
 Rf: 0.0041, Los: 0.04, Rg: 0.00, Cen: 0.19, Ani: 0.00, Fit: 0.0272
Step:   76, T: 0.455E-05, 635/17847, Succ: 10000, Eval: 2501896, CPU: 00:01:18
 Rf: 0.0070, Los: 0.04, Rg: 0.00, Cen: 0.34, Ani: 0.00, Fit: 0.0280
Step:   77, T: 0.432E-05, 636/17847, Succ: 10000, Eval: 2558434, CPU: 00:01:20
 Rf: 0.0036, Los: 0.04, Rg: 0.00, Cen: 0.87, Ani: 0.00, Fit: 0.0273
Step:   78, T: 0.410E-05, 655/17847, Succ: 10000, Eval: 2615702, CPU: 00:01:22
 Rf: 0.0052, Los: 0.04, Rg: 0.01, Cen: 0.35, Ani: 0.00, Fit: 0.0275
Step:   79, T: 0.390E-05, 663/17847, Succ: 10000, Eval: 2674776, CPU: 00:01:23
 Rf: 0.0037, Los: 0.03, Rg: 0.00, Cen: 0.28, Ani: 0.00, Fit: 0.0252
Step:   80, T: 0.370E-05, 667/17847, Succ: 10000, Eval: 2737168, CPU: 00:01:25
 Rf: 0.0057, Los: 0.03, Rg: 0.01, Cen: 0.19, Ani: 0.00, Fit: 0.0258
Step:   81, T: 0.352E-05, 663/17847, Succ: 10000, Eval: 2802646, CPU: 00:01:27
 Rf: 0.0032, Los: 0.03, Rg: 0.01, Cen: 0.02, Ani: 0.00, Fit: 0.0251
Step:   82, T: 0.334E-05, 664/17847, Succ: 10000, Eval: 2870906, CPU: 00:01:29
 Rf: 0.0048, Los: 0.03, Rg: 0.00, Cen: 0.18, Ani: 0.00, Fit: 0.0256
Step:   83, T: 0.317E-05, 657/17847, Succ: 10000, Eval: 2943736, CPU: 00:01:31
 Rf: 0.0047, Los: 0.03, Rg: 0.00, Cen: 0.09, Ani: 0.00, Fit: 0.0258
Step:   84, T: 0.302E-05, 672/17847, Succ: 10000, Eval: 3019174, CPU: 00:01:33
 Rf: 0.0054, Los: 0.03, Rg: 0.00, Cen: 0.28, Ani: 0.00, Fit: 0.0255
Step:   85, T: 0.286E-05, 683/17847, Succ: 10000, Eval: 3097422, CPU: 00:01:35
 Rf: 0.0037, Los: 0.03, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0252
Step:   86, T: 0.272E-05, 696/17847, Succ: 10000, Eval: 3176080, CPU: 00:01:37
 Rf: 0.0034, Los: 0.03, Rg: 0.01, Cen: 0.09, Ani: 0.00, Fit: 0.0244
Step:   87, T: 0.259E-05, 675/17847, Succ: 10000, Eval: 3260670, CPU: 00:01:40
 Rf: 0.0036, Los: 0.03, Rg: 0.00, Cen: 0.19, Ani: 0.00, Fit: 0.0246
Step:   88, T: 0.246E-05, 680/17847, Succ: 10000, Eval: 3351476, CPU: 00:01:42
 Rf: 0.0055, Los: 0.03, Rg: 0.00, Cen: 0.08, Ani: 0.00, Fit: 0.0244
Step:   89, T: 0.233E-05, 691/17847, Succ: 10000, Eval: 3451268, CPU: 00:01:45
 Rf: 0.0042, Los: 0.03, Rg: 0.00, Cen: 0.22, Ani: 0.00, Fit: 0.0229
Step:   90, T: 0.222E-05, 709/17847, Succ: 8846, Eval: 3551268, CPU: 00:01:48
 Rf: 0.0048, Los: 0.03, Rg: 0.00, Cen: 0.50, Ani: 0.00, Fit: 0.0232
Step:   91, T: 0.211E-05, 711/17847, Succ: 8950, Eval: 3651268, CPU: 00:01:51
 Rf: 0.0040, Los: 0.02, Rg: 0.00, Cen: 0.08, Ani: 0.00, Fit: 0.0225
Step:   92, T: 0.200E-05, 699/17847, Succ: 8344, Eval: 3751268, CPU: 00:01:53
 Rf: 0.0042, Los: 0.03, Rg: 0.01, Cen: 0.05, Ani: 0.00, Fit: 0.0233
Step:   93, T: 0.190E-05, 709/17847, Succ: 8038, Eval: 3851268, CPU: 00:01:56
 Rf: 0.0049, Los: 0.03, Rg: 0.00, Cen: 0.53, Ani: 0.00, Fit: 0.0232
Step:   94, T: 0.181E-05, 707/17847, Succ: 7438, Eval: 3951268, CPU: 00:01:59
 Rf: 0.0050, Los: 0.03, Rg: 0.00, Cen: 0.16, Ani: 0.00, Fit: 0.0229
Step:   95, T: 0.172E-05, 707/17847, Succ: 6664, Eval: 4051268, CPU: 00:02:02
 Rf: 0.0033, Los: 0.02, Rg: 0.01, Cen: 0.21, Ani: 0.00, Fit: 0.0220
Step:   96, T: 0.163E-05, 697/17847, Succ: 6166, Eval: 4151268, CPU: 00:02:05
 Rf: 0.0043, Los: 0.02, Rg: 0.01, Cen: 0.23, Ani: 0.00, Fit: 0.0222
Step:   97, T: 0.155E-05, 710/17847, Succ: 5552, Eval: 4251268, CPU: 00:02:07
 Rf: 0.0043, Los: 0.02, Rg: 0.01, Cen: 0.13, Ani: 0.00, Fit: 0.0221
Step:   98, T: 0.147E-05, 721/17847, Succ: 5544, Eval: 4351268, CPU: 00:02:10
 Rf: 0.0039, Los: 0.02, Rg: 0.00, Cen: 0.14, Ani: 0.00, Fit: 0.0218
Step:   99, T: 0.140E-05, 715/17847, Succ: 5002, Eval: 4451268, CPU: 00:02:13
 Rf: 0.0045, Los: 0.02, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0218
Step:  100, T: 0.133E-05, 719/17847, Succ: 4876, Eval: 4551268, CPU: 00:02:16
 Rf: 0.0043, Los: 0.02, Rg: 0.00, Cen: 0.21, Ani: 0.00, Fit: 0.0217
Step:  101, T: 0.126E-05, 721/17847, Succ: 4262, Eval: 4651268, CPU: 00:02:19
 Rf: 0.0043, Los: 0.02, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0212
Step:  102, T: 0.120E-05, 724/17847, Succ: 3798, Eval: 4751268, CPU: 00:02:21
 Rf: 0.0039, Los: 0.02, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0209
Step:  103, T: 0.114E-05, 729/17847, Succ: 3546, Eval: 4851268, CPU: 00:02:24
 Rf: 0.0034, Los: 0.02, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0208
Step:  104, T: 0.108E-05, 729/17847, Succ: 3004, Eval: 4951268, CPU: 00:02:27
 Rf: 0.0033, Los: 0.02, Rg: 0.00, Cen: 0.33, Ani: 0.00, Fit: 0.0207
Step:  105, T: 0.103E-05, 725/17847, Succ: 2536, Eval: 5051268, CPU: 00:02:30
 Rf: 0.0039, Los: 0.02, Rg: 0.00, Cen: 0.19, Ani: 0.00, Fit: 0.0207
Step:  106, T: 0.976E-06, 719/17847, Succ: 2506, Eval: 5151268, CPU: 00:02:33
 Rf: 0.0039, Los: 0.02, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0210
Step:  107, T: 0.927E-06, 727/17847, Succ: 2176, Eval: 5251270, CPU: 00:02:36
 Rf: 0.0033, Los: 0.02, Rg: 0.00, Cen: 0.41, Ani: 0.00, Fit: 0.0210
Step:  108, T: 0.881E-06, 719/17847, Succ: 2380, Eval: 5351270, CPU: 00:02:38
 Rf: 0.0038, Los: 0.02, Rg: 0.00, Cen: 0.16, Ani: 0.00, Fit: 0.0210
Step:  109, T: 0.836E-06, 731/17847, Succ: 1864, Eval: 5451270, CPU: 00:02:41
 Rf: 0.0038, Los: 0.02, Rg: 0.00, Cen: 0.14, Ani: 0.00, Fit: 0.0206
Step:  110, T: 0.795E-06, 727/17847, Succ: 1720, Eval: 5551270, CPU: 00:02:44
 Rf: 0.0030, Los: 0.02, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0204
Step:  111, T: 0.755E-06, 725/17847, Succ: 1594, Eval: 5651270, CPU: 00:02:47
 Rf: 0.0036, Los: 0.02, Rg: 0.00, Cen: 0.11, Ani: 0.00, Fit: 0.0207
Step:  112, T: 0.717E-06, 731/17847, Succ: 1314, Eval: 5751270, CPU: 00:02:50
 Rf: 0.0034, Los: 0.02, Rg: 0.00, Cen: 0.33, Ani: 0.00, Fit: 0.0202
Step:  113, T: 0.681E-06, 729/17847, Succ: 1158, Eval: 5851270, CPU: 00:02:53
 Rf: 0.0034, Los: 0.02, Rg: 0.00, Cen: 0.22, Ani: 0.00, Fit: 0.0203
Step:  114, T: 0.647E-06, 725/17847, Succ: 1144, Eval: 5951270, CPU: 00:02:56
 Rf: 0.0034, Los: 0.02, Rg: 0.00, Cen: 0.11, Ani: 0.00, Fit: 0.0204
Step:  115, T: 0.615E-06, 731/17847, Succ: 1106, Eval: 6051270, CPU: 00:02:59
 Rf: 0.0031, Los: 0.02, Rg: 0.00, Cen: 0.20, Ani: 0.00, Fit: 0.0204
Step:  116, T: 0.584E-06, 731/17847, Succ: 772, Eval: 6151270, CPU: 00:03:01
 Rf: 0.0029, Los: 0.02, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0203
Step:  117, T: 0.555E-06, 731/17847, Succ: 764, Eval: 6251270, CPU: 00:03:04
 Rf: 0.0028, Los: 0.02, Rg: 0.00, Cen: 0.14, Ani: 0.00, Fit: 0.0203
Step:  118, T: 0.527E-06, 733/17847, Succ: 574, Eval: 6351270, CPU: 00:03:07
 Rf: 0.0035, Los: 0.02, Rg: 0.00, Cen: 0.11, Ani: 0.00, Fit: 0.0203
Step:  119, T: 0.501E-06, 731/17847, Succ: 498, Eval: 6451270, CPU: 00:03:10
 Rf: 0.0034, Los: 0.02, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0202
Step:  120, T: 0.476E-06, 733/17847, Succ: 466, Eval: 6551270, CPU: 00:03:13
 Rf: 0.0033, Los: 0.02, Rg: 0.00, Cen: 0.14, Ani: 0.00, Fit: 0.0202
Step:  121, T: 0.452E-06, 731/17847, Succ: 406, Eval: 6651270, CPU: 00:03:16
 Rf: 0.0032, Los: 0.02, Rg: 0.00, Cen: 0.09, Ani: 0.00, Fit: 0.0201
Step:  122, T: 0.429E-06, 731/17847, Succ: 136, Eval: 6751270, CPU: 00:03:18
 Rf: 0.0032, Los: 0.02, Rg: 0.00, Cen: 0.16, Ani: 0.00, Fit: 0.0202
Step:  123, T: 0.408E-06, 733/17847, Succ: 238, Eval: 6851270, CPU: 00:03:21
 Rf: 0.0033, Los: 0.02, Rg: 0.00, Cen: 0.08, Ani: 0.00, Fit: 0.0201
Step:  124, T: 0.388E-06, 733/17847, Succ: 288, Eval: 6951270, CPU: 00:03:24
 Rf: 0.0031, Los: 0.02, Rg: 0.00, Cen: 0.14, Ani: 0.00, Fit: 0.0202
Step:  125, T: 0.368E-06, 733/17847, Succ: 128, Eval: 7051270, CPU: 00:03:27
 Rf: 0.0031, Los: 0.02, Rg: 0.00, Cen: 0.09, Ani: 0.00, Fit: 0.0201
Step:  126, T: 0.350E-06, 733/17847, Succ: 112, Eval: 7151270, CPU: 00:03:30
 Rf: 0.0031, Los: 0.02, Rg: 0.00, Cen: 0.09, Ani: 0.00, Fit: 0.0201
Step:  127, T: 0.332E-06, 733/17847, Succ: 104, Eval: 7251270, CPU: 00:03:33
 Rf: 0.0031, Los: 0.02, Rg: 0.00, Cen: 0.09, Ani: 0.00, Fit: 0.0201
Step:  128, T: 0.316E-06, 733/17847, Succ: 60, Eval: 7351270, CPU: 00:03:36
 Rf: 0.0031, Los: 0.02, Rg: 0.00, Cen: 0.09, Ani: 0.00, Fit: 0.0201
Step:  129, T: 0.300E-06, 733/17847, Succ: 52, Eval: 7451270, CPU: 00:03:38
 Rf: 0.0031, Los: 0.02, Rg: 0.00, Cen: 0.09, Ani: 0.00, Fit: 0.0201
Step:  130, T: 0.285E-06, 733/17847, Succ: 28, Eval: 7551270, CPU: 00:03:41
 Rf: 0.0031, Los: 0.02, Rg: 0.00, Cen: 0.09, Ani: 0.00, Fit: 0.0201
Annealing procedure status ....................... : cooled down
Probability that the model fits the data ......... : 0.214
Preparing output files ........................... : pdb, fit, fir
Log closed ....................................... : 11-May-2017, 12:35:15