dammif ........................................... : r6669
Log opened ....................................... : 11-Aug-2018, 17:51:53
Run as:
Full command line ................................ : C:\atsas\bin\dammif.exe sub_001.out --mode fast --symmetry P1 --anisometry unknown --unit Nanometer --prefix sub_001-2
Configuration mode ............................... : fast
Angular units .................................... : nanometer
Prefix ........................................... : sub_001-2
Omit output of solvent ........................... : no
GNOM input file .................................. : sub_001.out
Expected particle anisometry ..................... : unknown
Enforced particle symmetry ....................... : p1
Pseudo-chains in PDB output ...................... : no
GNOM file:
Title ............................................ :
Angular units .................................... : nanometer
Maximum particle diameter [Angstrom] ............. : 171.
Radius of gyration [Angstrom] .................... : 47.9
Minimum s [1/Angstrom] ........................... : 0.00
Maximum s [1/Angstrom] ........................... : 0.161
Configured as:
Dummy atom radius ................................ : 6.10
Number of spherical harmonics .................... : 15
Proportion of the curve to be fitted ............. : 1.00
Maximum s [1/Angstrom] ........................... : 0.161
Number of shannon channels ....................... : 9
Number of supporting points in spline approx. .... : 12
Probability that the spline approx. fits the data  : 0.361E-01
Weighting function ............................... : emphasised porod
Initial random seed .............................. : 1533990113
Maximum number of steps .......................... : 200
Maximum number of iterations ..................... : 20000
Minumum number of successes ...................... : 20
Maximum number of successes ...................... : 2000
Temperature scheduling factor .................... : 0.900
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 ............................. : skipped (curve to short)
Annealing procedure status ....................... : warming up
Initial Rg penalty ............................... : 0.896E-03
Initial Center penalty ........................... : 6.84
Initial Looseness penalty ........................ : 0.869E-02
Annealing procedure status ....................... : started
Step:    1, T: 0.166E-03, 111/2384, Succ: 2000, Eval: 8005, CPU: 00:00:00
 Rf: 0.0441, Los: 0.15, Rg: 0.05, Cen:17.63, Ani: 0.00, Fit: 0.0602
Step:    2, T: 0.150E-03, 109/2576, Succ: 2000, Eval: 16018, CPU: 00:00:01
 Rf: 0.0482, Los: 0.14, Rg: 0.05, Cen:22.83, Ani: 0.00, Fit: 0.0636
Step:    3, T: 0.135E-03, 117/2794, Succ: 2000, Eval: 23689, CPU: 00:00:02
 Rf: 0.0545, Los: 0.12, Rg: 0.02, Cen:27.98, Ani: 0.00, Fit: 0.0668
Step:    4, T: 0.121E-03, 111/2827, Succ: 2000, Eval: 31681, CPU: 00:00:02
 Rf: 0.0457, Los: 0.15, Rg: 0.15, Cen:28.78, Ani: 0.00, Fit: 0.0630
Step:    5, T: 0.109E-03, 103/2909, Succ: 2000, Eval: 40195, CPU: 00:00:03
 Rf: 0.0328, Los: 0.14, Rg: 0.10, Cen:19.31, Ani: 0.00, Fit: 0.0530
Step:    6, T: 0.982E-04, 103/3021, Succ: 2000, Eval: 48365, CPU: 00:00:03
 Rf: 0.0291, Los: 0.14, Rg: 0.00, Cen:16.86, Ani: 0.00, Fit: 0.0487
Step:    7, T: 0.884E-04, 103/3061, Succ: 2000, Eval: 56435, CPU: 00:00:04
 Rf: 0.0373, Los: 0.15, Rg: 0.00, Cen:20.15, Ani: 0.00, Fit: 0.0552
Step:    8, T: 0.795E-04, 103/3119, Succ: 2000, Eval: 64838, CPU: 00:00:05
 Rf: 0.0280, Los: 0.15, Rg: 0.00, Cen:11.59, Ani: 0.00, Fit: 0.0490
Step:    9, T: 0.716E-04, 97/3222, Succ: 2000, Eval: 73620, CPU: 00:00:05
 Rf: 0.0173, Los: 0.15, Rg: 0.03, Cen:14.12, Ani: 0.00, Fit: 0.0445
Step:   10, T: 0.644E-04, 105/3271, Succ: 2000, Eval: 82808, CPU: 00:00:06
 Rf: 0.0245, Los: 0.12, Rg: 0.01, Cen: 6.07, Ani: 0.00, Fit: 0.0434
Step:   11, T: 0.580E-04, 97/3296, Succ: 2000, Eval: 92077, CPU: 00:00:07
 Rf: 0.0211, Los: 0.17, Rg: 0.00, Cen:11.13, Ani: 0.00, Fit: 0.0470
Step:   12, T: 0.522E-04, 103/3339, Succ: 2000, Eval: 101161, CPU: 00:00:07
 Rf: 0.0200, Los: 0.14, Rg: 0.02, Cen:14.38, Ani: 0.00, Fit: 0.0439
Step:   13, T: 0.470E-04, 105/3383, Succ: 2000, Eval: 111316, CPU: 00:00:08
 Rf: 0.0241, Los: 0.12, Rg: 0.00, Cen: 8.58, Ani: 0.00, Fit: 0.0435
Step:   14, T: 0.423E-04, 105/3415, Succ: 2000, Eval: 121268, CPU: 00:00:09
 Rf: 0.0187, Los: 0.12, Rg: 0.03, Cen:19.66, Ani: 0.00, Fit: 0.0420
Step:   15, T: 0.380E-04, 101/3428, Succ: 2000, Eval: 131390, CPU: 00:00:09
 Rf: 0.0145, Los: 0.12, Rg: 0.04, Cen: 7.26, Ani: 0.00, Fit: 0.0392
Step:   16, T: 0.342E-04, 101/3440, Succ: 2000, Eval: 142240, CPU: 00:00:10
 Rf: 0.0089, Los: 0.10, Rg: 0.03, Cen:13.16, Ani: 0.00, Fit: 0.0357
Step:   17, T: 0.308E-04, 99/3441, Succ: 2000, Eval: 154240, CPU: 00:00:11
 Rf: 0.0131, Los: 0.11, Rg: 0.00, Cen: 6.12, Ani: 0.00, Fit: 0.0369
Step:   18, T: 0.277E-04, 111/3447, Succ: 2000, Eval: 166617, CPU: 00:00:12
 Rf: 0.0107, Los: 0.09, Rg: 0.02, Cen: 6.71, Ani: 0.00, Fit: 0.0332
Step:   19, T: 0.250E-04, 105/3454, Succ: 2000, Eval: 179560, CPU: 00:00:13
 Rf: 0.0130, Los: 0.11, Rg: 0.06, Cen: 2.81, Ani: 0.00, Fit: 0.0371
Step:   20, T: 0.225E-04, 107/3455, Succ: 2000, Eval: 193339, CPU: 00:00:14
 Rf: 0.0120, Los: 0.11, Rg: 0.00, Cen: 5.39, Ani: 0.00, Fit: 0.0355
Step:   21, T: 0.202E-04, 111/3455, Succ: 2000, Eval: 209045, CPU: 00:00:15
 Rf: 0.0150, Los: 0.10, Rg: 0.01, Cen: 5.14, Ani: 0.00, Fit: 0.0356
Step:   22, T: 0.182E-04, 107/3457, Succ: 2000, Eval: 225195, CPU: 00:00:16
 Rf: 0.0113, Los: 0.09, Rg: 0.00, Cen: 3.91, Ani: 0.00, Fit: 0.0324
Step:   23, T: 0.164E-04, 119/3457, Succ: 2000, Eval: 241190, CPU: 00:00:17
 Rf: 0.0081, Los: 0.07, Rg: 0.00, Cen: 1.58, Ani: 0.00, Fit: 0.0279
Step:   24, T: 0.147E-04, 111/3459, Succ: 2000, Eval: 258339, CPU: 00:00:19
 Rf: 0.0088, Los: 0.07, Rg: 0.01, Cen: 3.17, Ani: 0.00, Fit: 0.0292
Step:   25, T: 0.133E-04, 115/3459, Succ: 2000, Eval: 278060, CPU: 00:00:20
 Rf: 0.0097, Los: 0.09, Rg: 0.00, Cen: 4.09, Ani: 0.00, Fit: 0.0318
Step:   26, T: 0.119E-04, 115/3460, Succ: 1736, Eval: 298060, CPU: 00:00:21
 Rf: 0.0094, Los: 0.07, Rg: 0.00, Cen: 5.10, Ani: 0.00, Fit: 0.0291
Step:   27, T: 0.107E-04, 117/3460, Succ: 1504, Eval: 318060, CPU: 00:00:23
 Rf: 0.0068, Los: 0.07, Rg: 0.00, Cen: 2.57, Ani: 0.00, Fit: 0.0279
Step:   28, T: 0.967E-05, 113/3460, Succ: 1372, Eval: 338060, CPU: 00:00:24
 Rf: 0.0068, Los: 0.07, Rg: 0.00, Cen: 2.72, Ani: 0.00, Fit: 0.0279
Step:   29, T: 0.870E-05, 121/3460, Succ: 1286, Eval: 358060, CPU: 00:00:26
 Rf: 0.0070, Los: 0.06, Rg: 0.01, Cen: 1.57, Ani: 0.00, Fit: 0.0255
Step:   30, T: 0.783E-05, 121/3460, Succ: 1224, Eval: 378060, CPU: 00:00:27
 Rf: 0.0054, Los: 0.06, Rg: 0.00, Cen: 4.32, Ani: 0.00, Fit: 0.0258
Step:   31, T: 0.705E-05, 117/3460, Succ: 1008, Eval: 398060, CPU: 00:00:29
 Rf: 0.0046, Los: 0.06, Rg: 0.00, Cen: 3.85, Ani: 0.00, Fit: 0.0253
Step:   32, T: 0.635E-05, 117/3460, Succ: 844, Eval: 418060, CPU: 00:00:30
 Rf: 0.0052, Los: 0.06, Rg: 0.00, Cen: 2.29, Ani: 0.00, Fit: 0.0260
Step:   33, T: 0.571E-05, 119/3460, Succ: 808, Eval: 438060, CPU: 00:00:31
 Rf: 0.0057, Los: 0.06, Rg: 0.00, Cen: 3.22, Ani: 0.00, Fit: 0.0261
Step:   34, T: 0.514E-05, 122/3460, Succ: 665, Eval: 458060, CPU: 00:00:33
 Rf: 0.0053, Los: 0.05, Rg: 0.00, Cen: 1.32, Ani: 0.00, Fit: 0.0240
Step:   35, T: 0.463E-05, 122/3460, Succ: 536, Eval: 478060, CPU: 00:00:34
 Rf: 0.0043, Los: 0.05, Rg: 0.00, Cen: 1.18, Ani: 0.00, Fit: 0.0232
Step:   36, T: 0.416E-05, 122/3460, Succ: 442, Eval: 498060, CPU: 00:00:36
 Rf: 0.0041, Los: 0.05, Rg: 0.00, Cen: 0.50, Ani: 0.00, Fit: 0.0229
Step:   37, T: 0.375E-05, 123/3460, Succ: 415, Eval: 518060, CPU: 00:00:37
 Rf: 0.0051, Los: 0.05, Rg: 0.00, Cen: 0.65, Ani: 0.00, Fit: 0.0233
Step:   38, T: 0.337E-05, 126/3460, Succ: 245, Eval: 538060, CPU: 00:00:39
 Rf: 0.0049, Los: 0.05, Rg: 0.00, Cen: 0.83, Ani: 0.00, Fit: 0.0226
Step:   39, T: 0.303E-05, 124/3460, Succ: 312, Eval: 558060, CPU: 00:00:40
 Rf: 0.0050, Los: 0.05, Rg: 0.00, Cen: 1.37, Ani: 0.00, Fit: 0.0224
Step:   40, T: 0.273E-05, 126/3460, Succ: 232, Eval: 578060, CPU: 00:00:42
 Rf: 0.0060, Los: 0.05, Rg: 0.00, Cen: 0.50, Ani: 0.00, Fit: 0.0224
Step:   41, T: 0.246E-05, 128/3460, Succ: 110, Eval: 598060, CPU: 00:00:43
 Rf: 0.0056, Los: 0.04, Rg: 0.00, Cen: 1.59, Ani: 0.00, Fit: 0.0218
Step:   42, T: 0.221E-05, 128/3460, Succ: 108, Eval: 618060, CPU: 00:00:45
 Rf: 0.0061, Los: 0.04, Rg: 0.00, Cen: 0.90, Ani: 0.00, Fit: 0.0219
Step:   43, T: 0.199E-05, 127/3460, Succ: 73, Eval: 638060, CPU: 00:00:46
 Rf: 0.0048, Los: 0.04, Rg: 0.00, Cen: 0.93, Ani: 0.00, Fit: 0.0217
Step:   44, T: 0.179E-05, 128/3460, Succ: 89, Eval: 658060, CPU: 00:00:48
 Rf: 0.0054, Los: 0.04, Rg: 0.00, Cen: 1.04, Ani: 0.00, Fit: 0.0217
Step:   45, T: 0.161E-05, 128/3460, Succ: 80, Eval: 678060, CPU: 00:00:49
 Rf: 0.0050, Los: 0.04, Rg: 0.00, Cen: 0.58, Ani: 0.00, Fit: 0.0216
Step:   46, T: 0.145E-05, 128/3460, Succ: 82, Eval: 698060, CPU: 00:00:50
 Rf: 0.0052, Los: 0.04, Rg: 0.00, Cen: 0.83, Ani: 0.00, Fit: 0.0216
Step:   47, T: 0.131E-05, 129/3460, Succ: 11, Eval: 718060, CPU: 00:00:52
 Rf: 0.0052, Los: 0.04, Rg: 0.00, Cen: 0.69, Ani: 0.00, Fit: 0.0215
Annealing procedure status ....................... : cooled down
Probability that the model fits the data ......... : 0.713E-01
Preparing output files ........................... : pdb, fit, fir
Log closed ....................................... : 11-Aug-2018, 17:52:49