dammif ........................................... : r6669
Log opened ....................................... : 27-Jun-2018, 14:17:34
Run as:
Full command line ................................ : C:\atsas\bin\dammif.exe RR_169_sub.out --mode fast --symmetry P1 --anisometry unknown --unit unknown --prefix RR_169_sub-7
Configuration mode ............................... : fast
Angular units .................................... : unknown
Prefix ........................................... : RR_169_sub-7
Omit output of solvent ........................... : no
GNOM input file .................................. : RR_169_sub.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] ............. : 185.
Radius of gyration [Angstrom] .................... : 40.6
Minimum s [1/Angstrom] ........................... : 0.00
Maximum s [1/Angstrom] ........................... : 0.142
Configured as:
Dummy atom radius ................................ : 6.60
Number of spherical harmonics .................... : 15
Proportion of the curve to be fitted ............. : 1.00
Maximum s [1/Angstrom] ........................... : 0.142
Number of shannon channels ....................... : 9
Number of supporting points in spline approx. .... : 4
Probability that the spline approx. fits the data  : 1.00
Weighting function ............................... : emphasised porod
Initial random seed .............................. : 1530089254
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 ............................. : 1.31
Annealing procedure status ....................... : warming up
Initial Rg penalty ............................... : 0.802E-04
Initial Center penalty ........................... : 5.82
Initial Looseness penalty ........................ : 0.125E-01
Annealing procedure status ....................... : started
Step:    1, T: 0.475E-03, 94/1599, Succ: 2000, Eval: 7225, CPU: 00:00:00
 Rf: 0.0720, Los: 0.17, Rg: 0.02, Cen: 8.23, Ani: 0.00, Fit: 0.0835
Step:    2, T: 0.427E-03, 96/1804, Succ: 2000, Eval: 14570, CPU: 00:00:01
 Rf: 0.0928, Los: 0.15, Rg: 0.10, Cen:15.50, Ani: 0.00, Fit: 0.1018
Step:    3, T: 0.385E-03, 104/2031, Succ: 2000, Eval: 21471, CPU: 00:00:01
 Rf: 0.0791, Los: 0.13, Rg: 0.16, Cen:33.78, Ani: 0.00, Fit: 0.0896
Step:    4, T: 0.346E-03, 90/2199, Succ: 2000, Eval: 29123, CPU: 00:00:02
 Rf: 0.0739, Los: 0.15, Rg: 0.07, Cen:42.00, Ani: 0.00, Fit: 0.0863
Step:    5, T: 0.311E-03, 90/2373, Succ: 2000, Eval: 36577, CPU: 00:00:02
 Rf: 0.0682, Los: 0.16, Rg: 0.00, Cen:47.12, Ani: 0.00, Fit: 0.0819
Step:    6, T: 0.280E-03, 88/2645, Succ: 2000, Eval: 44498, CPU: 00:00:03
 Rf: 0.0542, Los: 0.14, Rg: 0.61, Cen:53.53, Ani: 0.00, Fit: 0.0743
Step:    7, T: 0.252E-03, 84/2721, Succ: 2000, Eval: 52892, CPU: 00:00:04
 Rf: 0.0452, Los: 0.14, Rg: 0.00, Cen:44.34, Ani: 0.00, Fit: 0.0621
Step:    8, T: 0.227E-03, 82/2780, Succ: 2000, Eval: 60472, CPU: 00:00:04
 Rf: 0.0591, Los: 0.18, Rg: 0.03, Cen:48.20, Ani: 0.00, Fit: 0.0764
Step:    9, T: 0.204E-03, 84/2885, Succ: 2000, Eval: 67947, CPU: 00:00:05
 Rf: 0.0515, Los: 0.16, Rg: 0.14, Cen:49.22, Ani: 0.00, Fit: 0.0703
Step:   10, T: 0.184E-03, 82/3024, Succ: 2000, Eval: 75900, CPU: 00:00:05
 Rf: 0.0494, Los: 0.18, Rg: 0.00, Cen:56.58, Ani: 0.00, Fit: 0.0693
Step:   11, T: 0.166E-03, 92/3196, Succ: 2000, Eval: 83533, CPU: 00:00:06
 Rf: 0.0391, Los: 0.12, Rg: 0.01, Cen:67.75, Ani: 0.00, Fit: 0.0581
Step:   12, T: 0.149E-03, 84/3256, Succ: 2000, Eval: 91043, CPU: 00:00:07
 Rf: 0.0409, Los: 0.14, Rg: 0.06, Cen:60.87, Ani: 0.00, Fit: 0.0610
Step:   13, T: 0.134E-03, 86/3291, Succ: 2000, Eval: 99679, CPU: 00:00:07
 Rf: 0.0452, Los: 0.15, Rg: 0.11, Cen:54.41, Ani: 0.00, Fit: 0.0648
Step:   14, T: 0.121E-03, 80/3321, Succ: 2000, Eval: 108450, CPU: 00:00:08
 Rf: 0.0265, Los: 0.17, Rg: 0.03, Cen:43.88, Ani: 0.00, Fit: 0.0532
Step:   15, T: 0.109E-03, 84/3335, Succ: 2000, Eval: 116749, CPU: 00:00:08
 Rf: 0.0318, Los: 0.14, Rg: 0.05, Cen:48.18, Ani: 0.00, Fit: 0.0540
Step:   16, T: 0.978E-04, 84/3342, Succ: 2000, Eval: 125551, CPU: 00:00:09
 Rf: 0.0154, Los: 0.13, Rg: 0.11, Cen:40.22, Ani: 0.00, Fit: 0.0454
Step:   17, T: 0.880E-04, 84/3344, Succ: 2000, Eval: 134689, CPU: 00:00:10
 Rf: 0.0341, Los: 0.13, Rg: 0.13, Cen:34.75, Ani: 0.00, Fit: 0.0546
Step:   18, T: 0.792E-04, 80/3353, Succ: 2000, Eval: 143164, CPU: 00:00:10
 Rf: 0.0258, Los: 0.14, Rg: 0.00, Cen:32.57, Ani: 0.00, Fit: 0.0489
Step:   19, T: 0.713E-04, 82/3426, Succ: 2000, Eval: 152357, CPU: 00:00:11
 Rf: 0.0069, Los: 0.13, Rg: 0.00, Cen:31.89, Ani: 0.00, Fit: 0.0413
Step:   20, T: 0.641E-04, 80/3461, Succ: 2000, Eval: 162190, CPU: 00:00:12
 Rf: 0.0307, Los: 0.12, Rg: 0.01, Cen:31.13, Ani: 0.00, Fit: 0.0501
Step:   21, T: 0.577E-04, 80/3485, Succ: 2000, Eval: 172084, CPU: 00:00:12
 Rf: 0.0132, Los: 0.14, Rg: 0.00, Cen:27.56, Ani: 0.00, Fit: 0.0434
Step:   22, T: 0.519E-04, 88/3533, Succ: 2000, Eval: 182504, CPU: 00:00:13
 Rf: 0.0101, Los: 0.09, Rg: 0.00, Cen: 8.44, Ani: 0.00, Fit: 0.0330
Step:   23, T: 0.468E-04, 84/3560, Succ: 2000, Eval: 192701, CPU: 00:00:14
 Rf: 0.0134, Los: 0.13, Rg: 0.06, Cen:15.53, Ani: 0.00, Fit: 0.0412
Step:   24, T: 0.421E-04, 84/3570, Succ: 2000, Eval: 203534, CPU: 00:00:15
 Rf: 0.0115, Los: 0.11, Rg: 0.00, Cen:13.22, Ani: 0.00, Fit: 0.0368
Step:   25, T: 0.379E-04, 88/3581, Succ: 2000, Eval: 215350, CPU: 00:00:15
 Rf: 0.0096, Los: 0.12, Rg: 0.01, Cen:13.95, Ani: 0.00, Fit: 0.0373
Step:   26, T: 0.341E-04, 84/3585, Succ: 2000, Eval: 227382, CPU: 00:00:16
 Rf: 0.0104, Los: 0.11, Rg: 0.02, Cen:13.00, Ani: 0.00, Fit: 0.0369
Step:   27, T: 0.307E-04, 86/3589, Succ: 2000, Eval: 240068, CPU: 00:00:17
 Rf: 0.0124, Los: 0.09, Rg: 0.02, Cen: 3.73, Ani: 0.00, Fit: 0.0327
Step:   28, T: 0.276E-04, 86/3592, Succ: 2000, Eval: 252753, CPU: 00:00:18
 Rf: 0.0094, Los: 0.09, Rg: 0.02, Cen: 6.19, Ani: 0.00, Fit: 0.0328
Step:   29, T: 0.248E-04, 86/3596, Succ: 2000, Eval: 267692, CPU: 00:00:19
 Rf: 0.0138, Los: 0.10, Rg: 0.00, Cen: 4.53, Ani: 0.00, Fit: 0.0351
Step:   30, T: 0.224E-04, 86/3596, Succ: 2000, Eval: 283232, CPU: 00:00:20
 Rf: 0.0118, Los: 0.10, Rg: 0.01, Cen: 7.88, Ani: 0.00, Fit: 0.0343
Step:   31, T: 0.201E-04, 86/3609, Succ: 2000, Eval: 300427, CPU: 00:00:21
 Rf: 0.0109, Los: 0.10, Rg: 0.00, Cen: 8.54, Ani: 0.00, Fit: 0.0341
Step:   32, T: 0.181E-04, 86/3615, Succ: 2000, Eval: 318345, CPU: 00:00:23
 Rf: 0.0117, Los: 0.09, Rg: 0.01, Cen: 8.69, Ani: 0.00, Fit: 0.0341
Step:   33, T: 0.163E-04, 92/3616, Succ: 2000, Eval: 337087, CPU: 00:00:24
 Rf: 0.0085, Los: 0.08, Rg: 0.01, Cen: 8.21, Ani: 0.00, Fit: 0.0304
Step:   34, T: 0.147E-04, 94/3616, Succ: 1942, Eval: 357087, CPU: 00:00:26
 Rf: 0.0105, Los: 0.07, Rg: 0.00, Cen: 2.45, Ani: 0.00, Fit: 0.0292
Step:   35, T: 0.132E-04, 95/3616, Succ: 1695, Eval: 377087, CPU: 00:00:27
 Rf: 0.0088, Los: 0.06, Rg: 0.00, Cen:10.30, Ani: 0.00, Fit: 0.0289
Step:   36, T: 0.119E-04, 93/3616, Succ: 1624, Eval: 397087, CPU: 00:00:28
 Rf: 0.0067, Los: 0.06, Rg: 0.00, Cen: 6.19, Ani: 0.00, Fit: 0.0272
Step:   37, T: 0.107E-04, 95/3617, Succ: 1404, Eval: 417087, CPU: 00:00:30
 Rf: 0.0096, Los: 0.06, Rg: 0.00, Cen: 2.63, Ani: 0.00, Fit: 0.0262
Step:   38, T: 0.963E-05, 91/3617, Succ: 1272, Eval: 437087, CPU: 00:00:31
 Rf: 0.0072, Los: 0.06, Rg: 0.00, Cen: 3.98, Ani: 0.00, Fit: 0.0264
Step:   39, T: 0.866E-05, 98/3619, Succ: 1097, Eval: 457087, CPU: 00:00:33
 Rf: 0.0076, Los: 0.05, Rg: 0.00, Cen: 4.06, Ani: 0.00, Fit: 0.0247
Step:   40, T: 0.780E-05, 95/3619, Succ: 957, Eval: 477087, CPU: 00:00:34
 Rf: 0.0082, Los: 0.06, Rg: 0.01, Cen: 2.29, Ani: 0.00, Fit: 0.0263
Step:   41, T: 0.702E-05, 99/3619, Succ: 772, Eval: 497087, CPU: 00:00:36
 Rf: 0.0078, Los: 0.05, Rg: 0.02, Cen: 2.00, Ani: 0.00, Fit: 0.0246
Step:   42, T: 0.632E-05, 97/3619, Succ: 838, Eval: 517087, CPU: 00:00:37
 Rf: 0.0079, Los: 0.05, Rg: 0.00, Cen: 6.49, Ani: 0.00, Fit: 0.0256
Step:   43, T: 0.568E-05, 96/3619, Succ: 741, Eval: 537087, CPU: 00:00:39
 Rf: 0.0066, Los: 0.06, Rg: 0.01, Cen: 5.56, Ani: 0.00, Fit: 0.0262
Step:   44, T: 0.512E-05, 97/3619, Succ: 517, Eval: 557087, CPU: 00:00:40
 Rf: 0.0062, Los: 0.05, Rg: 0.00, Cen: 6.42, Ani: 0.00, Fit: 0.0241
Step:   45, T: 0.460E-05, 95/3619, Succ: 422, Eval: 577087, CPU: 00:00:41
 Rf: 0.0046, Los: 0.05, Rg: 0.01, Cen: 7.32, Ani: 0.00, Fit: 0.0250
Step:   46, T: 0.414E-05, 98/3619, Succ: 367, Eval: 597087, CPU: 00:00:43
 Rf: 0.0089, Los: 0.05, Rg: 0.00, Cen: 4.30, Ani: 0.00, Fit: 0.0242
Step:   47, T: 0.373E-05, 100/3619, Succ: 238, Eval: 617087, CPU: 00:00:44
 Rf: 0.0071, Los: 0.04, Rg: 0.01, Cen: 5.66, Ani: 0.00, Fit: 0.0231
Step:   48, T: 0.336E-05, 96/3619, Succ: 206, Eval: 637087, CPU: 00:00:46
 Rf: 0.0060, Los: 0.05, Rg: 0.00, Cen: 5.42, Ani: 0.00, Fit: 0.0234
Step:   49, T: 0.302E-05, 99/3619, Succ: 167, Eval: 657087, CPU: 00:00:47
 Rf: 0.0044, Los: 0.04, Rg: 0.00, Cen: 7.47, Ani: 0.00, Fit: 0.0232
Step:   50, T: 0.272E-05, 100/3619, Succ: 133, Eval: 677087, CPU: 00:00:49
 Rf: 0.0046, Los: 0.04, Rg: 0.00, Cen: 7.79, Ani: 0.00, Fit: 0.0228
Step:   51, T: 0.245E-05, 97/3619, Succ: 103, Eval: 697087, CPU: 00:00:50
 Rf: 0.0051, Los: 0.05, Rg: 0.00, Cen: 6.24, Ani: 0.00, Fit: 0.0233
Step:   52, T: 0.220E-05, 100/3619, Succ: 149, Eval: 717087, CPU: 00:00:52
 Rf: 0.0049, Los: 0.04, Rg: 0.00, Cen: 7.08, Ani: 0.00, Fit: 0.0226
Step:   53, T: 0.198E-05, 100/3619, Succ: 26, Eval: 737087, CPU: 00:00:53
 Rf: 0.0049, Los: 0.04, Rg: 0.00, Cen: 7.08, Ani: 0.00, Fit: 0.0226
Step:   54, T: 0.178E-05, 100/3619, Succ: 24, Eval: 757087, CPU: 00:00:54
 Rf: 0.0049, Los: 0.04, Rg: 0.00, Cen: 7.08, Ani: 0.00, Fit: 0.0226
Step:   55, T: 0.161E-05, 100/3619, Succ: 22, Eval: 777087, CPU: 00:00:56
 Rf: 0.0049, Los: 0.04, Rg: 0.00, Cen: 7.08, Ani: 0.00, Fit: 0.0226
Step:   56, T: 0.144E-05, 100/3619, Succ: 16, Eval: 797087, CPU: 00:00:57
 Rf: 0.0049, Los: 0.04, Rg: 0.00, Cen: 7.08, Ani: 0.00, Fit: 0.0226
Annealing procedure status ....................... : cooled down
Probability that the model fits the data ......... : 0.987E-06
Preparing output files ........................... : pdb, fit, fir
Log closed ....................................... : 27-Jun-2018, 14:18:34