dammif ........................................... : r13469
Log opened ....................................... : 24-Jan-2025, 01:17:48
Run as:
Full command line ................................ : C:\Program Files\ATSAS-3.0.4\bin\dammif.exe 0123NTF2A6.out --mode slow --symmetry P2 --anisometry unknown --unit Angstrom --prefix 0123NTF2A6-1
Configuration mode ............................... : slow
Angular units .................................... : angstrom
Prefix ........................................... : 0123NTF2A6-1
Omit output of solvent ........................... : no
GNOM input file .................................. : 0123NTF2A6.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] ............. : 151.
Radius of gyration [Angstrom] .................... : 38.8
Minimum s [1/Angstrom] ........................... : 0.00
Maximum s [1/Angstrom] ........................... : 0.222
Configured as:
Shape class ...................................... : random-chain
Approx. shape dimension (ri) ..................... : 0.00
Approx. shape dimension (ro) ..................... : 50.0
Approx. shape dimension (h) ...................... : 0.00
Dummy atom radius ................................ : 2.10
Number of spherical harmonics .................... : 20
Proportion of the curve to be fitted ............. : 1.00
Maximum s [1/Angstrom] ........................... : 0.222
Number of shannon channels ....................... : 11
Number of supporting points in spline approx. .... : 12
Probability that the spline approx. fits the data  : 0.160E-21
Weighting function ............................... : emphasised porod
Initial random seed .............................. : 495858992746360
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 ............................. : 0.266E-03
Annealing procedure status ....................... : warming up
Initial Rg penalty ............................... : 0.426E-03
Initial Center penalty ........................... : 0.137E-02
Initial Looseness penalty ........................ : 0.427E-02
Annealing procedure status ....................... : started
Step:    1, T: 0.278E-04, 5447/16521, Succ: 10000, Eval: 18726, CPU: 00:00:01
 Rf: 0.3653, Los: 0.10, Rg: 5.66, Cen: 0.10, Ani: 0.00, Fit: 0.3757
Step:    2, T: 0.264E-04, 3908/20681, Succ: 10000, Eval: 53110, CPU: 00:00:05
 Rf: 0.2813, Los: 0.15, Rg: 0.02, Cen: 1.19, Ani: 0.00, Fit: 0.2868
Step:    3, T: 0.251E-04, 1984/21945, Succ: 10000, Eval: 112116, CPU: 00:00:10
 Rf: 0.0663, Los: 0.14, Rg: 0.05, Cen: 2.29, Ani: 0.00, Fit: 0.0857
Step:    4, T: 0.238E-04, 1973/22673, Succ: 10000, Eval: 149850, CPU: 00:00:13
 Rf: 0.0572, Los: 0.14, Rg: 0.02, Cen: 1.46, Ani: 0.00, Fit: 0.0780
Step:    5, T: 0.226E-04, 1994/22995, Succ: 10000, Eval: 181686, CPU: 00:00:15
 Rf: 0.0549, Los: 0.13, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0749
Step:    6, T: 0.215E-04, 1987/23419, Succ: 10000, Eval: 211666, CPU: 00:00:16
 Rf: 0.0524, Los: 0.13, Rg: 0.01, Cen: 0.67, Ani: 0.00, Fit: 0.0737
Step:    7, T: 0.204E-04, 1909/23619, Succ: 10000, Eval: 240564, CPU: 00:00:17
 Rf: 0.0458, Los: 0.12, Rg: 0.09, Cen: 1.33, Ani: 0.00, Fit: 0.0679
Step:    8, T: 0.194E-04, 1914/23815, Succ: 10000, Eval: 268874, CPU: 00:00:19
 Rf: 0.0443, Los: 0.13, Rg: 0.00, Cen: 0.30, Ani: 0.00, Fit: 0.0677
Step:    9, T: 0.184E-04, 1935/24117, Succ: 10000, Eval: 298066, CPU: 00:00:20
 Rf: 0.0440, Los: 0.13, Rg: 0.00, Cen: 0.40, Ani: 0.00, Fit: 0.0670
Step:   10, T: 0.175E-04, 1910/24299, Succ: 10000, Eval: 327158, CPU: 00:00:21
 Rf: 0.0394, Los: 0.12, Rg: 0.06, Cen: 0.09, Ani: 0.00, Fit: 0.0629
Step:   11, T: 0.166E-04, 1903/24399, Succ: 10000, Eval: 354712, CPU: 00:00:22
 Rf: 0.0404, Los: 0.12, Rg: 0.01, Cen: 0.02, Ani: 0.00, Fit: 0.0631
Step:   12, T: 0.158E-04, 1931/24507, Succ: 10000, Eval: 381598, CPU: 00:00:24
 Rf: 0.0371, Los: 0.11, Rg: 0.05, Cen: 0.79, Ani: 0.00, Fit: 0.0606
Step:   13, T: 0.150E-04, 1937/24585, Succ: 10000, Eval: 408106, CPU: 00:00:25
 Rf: 0.0378, Los: 0.11, Rg: 0.00, Cen: 2.38, Ani: 0.00, Fit: 0.0610
Step:   14, T: 0.143E-04, 1961/24717, Succ: 10000, Eval: 435240, CPU: 00:00:26
 Rf: 0.0297, Los: 0.11, Rg: 0.01, Cen: 0.78, Ani: 0.00, Fit: 0.0553
Step:   15, T: 0.135E-04, 1848/24859, Succ: 10000, Eval: 462806, CPU: 00:00:27
 Rf: 0.0300, Los: 0.12, Rg: 0.02, Cen: 0.35, Ani: 0.00, Fit: 0.0571
Step:   16, T: 0.129E-04, 1844/25065, Succ: 10000, Eval: 489898, CPU: 00:00:29
 Rf: 0.0240, Los: 0.10, Rg: 0.00, Cen: 1.19, Ani: 0.00, Fit: 0.0517
Step:   17, T: 0.122E-04, 1869/25099, Succ: 10000, Eval: 517480, CPU: 00:00:30
 Rf: 0.0262, Los: 0.11, Rg: 0.02, Cen: 0.54, Ani: 0.00, Fit: 0.0537
Step:   18, T: 0.116E-04, 1858/25119, Succ: 10000, Eval: 543884, CPU: 00:00:31
 Rf: 0.0274, Los: 0.11, Rg: 0.02, Cen: 0.00, Ani: 0.00, Fit: 0.0542
Step:   19, T: 0.110E-04, 1861/25153, Succ: 10000, Eval: 569560, CPU: 00:00:33
 Rf: 0.0225, Los: 0.10, Rg: 0.02, Cen: 0.24, Ani: 0.00, Fit: 0.0493
Step:   20, T: 0.105E-04, 1842/25185, Succ: 10000, Eval: 594880, CPU: 00:00:34
 Rf: 0.0209, Los: 0.10, Rg: 0.00, Cen: 0.05, Ani: 0.00, Fit: 0.0492
Step:   21, T: 0.996E-05, 1896/25251, Succ: 10000, Eval: 622396, CPU: 00:00:36
 Rf: 0.0262, Los: 0.09, Rg: 0.03, Cen: 1.41, Ani: 0.00, Fit: 0.0512
Step:   22, T: 0.946E-05, 1857/25309, Succ: 10000, Eval: 648594, CPU: 00:00:37
 Rf: 0.0237, Los: 0.10, Rg: 0.01, Cen: 1.13, Ani: 0.00, Fit: 0.0504
Step:   23, T: 0.899E-05, 1858/25325, Succ: 10000, Eval: 673978, CPU: 00:00:39
 Rf: 0.0245, Los: 0.09, Rg: 0.01, Cen: 0.49, Ani: 0.00, Fit: 0.0499
Step:   24, T: 0.854E-05, 1937/25353, Succ: 10000, Eval: 699138, CPU: 00:00:40
 Rf: 0.0207, Los: 0.08, Rg: 0.01, Cen: 0.29, Ani: 0.00, Fit: 0.0460
Step:   25, T: 0.811E-05, 1913/25357, Succ: 10000, Eval: 724478, CPU: 00:00:41
 Rf: 0.0198, Los: 0.09, Rg: 0.00, Cen: 0.11, Ani: 0.00, Fit: 0.0461
Step:   26, T: 0.771E-05, 1924/25357, Succ: 10000, Eval: 749474, CPU: 00:00:42
 Rf: 0.0188, Los: 0.08, Rg: 0.00, Cen: 0.64, Ani: 0.00, Fit: 0.0443
Step:   27, T: 0.732E-05, 1869/25383, Succ: 10000, Eval: 775442, CPU: 00:00:44
 Rf: 0.0171, Los: 0.09, Rg: 0.00, Cen: 1.32, Ani: 0.00, Fit: 0.0451
Step:   28, T: 0.695E-05, 1890/25407, Succ: 10000, Eval: 802190, CPU: 00:00:44
 Rf: 0.0170, Los: 0.08, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0438
Step:   29, T: 0.661E-05, 1907/25417, Succ: 10000, Eval: 827560, CPU: 00:00:45
 Rf: 0.0176, Los: 0.08, Rg: 0.00, Cen: 0.29, Ani: 0.00, Fit: 0.0431
Step:   30, T: 0.628E-05, 1912/25431, Succ: 10000, Eval: 852440, CPU: 00:00:46
 Rf: 0.0163, Los: 0.07, Rg: 0.00, Cen: 0.10, Ani: 0.00, Fit: 0.0419
Step:   31, T: 0.596E-05, 1912/25465, Succ: 10000, Eval: 877604, CPU: 00:00:46
 Rf: 0.0146, Los: 0.06, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0387
Step:   32, T: 0.566E-05, 1873/25475, Succ: 10000, Eval: 902736, CPU: 00:00:47
 Rf: 0.0134, Los: 0.07, Rg: 0.01, Cen: 0.75, Ani: 0.00, Fit: 0.0394
Step:   33, T: 0.538E-05, 1891/25505, Succ: 10000, Eval: 929032, CPU: 00:00:48
 Rf: 0.0117, Los: 0.07, Rg: 0.01, Cen: 0.29, Ani: 0.00, Fit: 0.0394
Step:   34, T: 0.511E-05, 1894/25515, Succ: 10000, Eval: 954410, CPU: 00:00:49
 Rf: 0.0107, Los: 0.07, Rg: 0.00, Cen: 0.20, Ani: 0.00, Fit: 0.0376
Step:   35, T: 0.486E-05, 1911/25541, Succ: 10000, Eval: 980434, CPU: 00:00:50
 Rf: 0.0118, Los: 0.06, Rg: 0.00, Cen: 0.13, Ani: 0.00, Fit: 0.0373
Step:   36, T: 0.461E-05, 1960/25545, Succ: 10000, Eval: 1006980, CPU: 00:00:50
 Rf: 0.0122, Los: 0.06, Rg: 0.00, Cen: 0.12, Ani: 0.00, Fit: 0.0359
Step:   37, T: 0.438E-05, 1926/25549, Succ: 10000, Eval: 1033766, CPU: 00:00:51
 Rf: 0.0110, Los: 0.06, Rg: 0.01, Cen: 0.09, Ani: 0.00, Fit: 0.0354
Step:   38, T: 0.416E-05, 1915/25549, Succ: 10000, Eval: 1060000, CPU: 00:00:52
 Rf: 0.0100, Los: 0.06, Rg: 0.00, Cen: 0.21, Ani: 0.00, Fit: 0.0350
Step:   39, T: 0.396E-05, 1898/25563, Succ: 10000, Eval: 1086908, CPU: 00:00:53
 Rf: 0.0117, Los: 0.06, Rg: 0.00, Cen: 0.07, Ani: 0.00, Fit: 0.0363
Step:   40, T: 0.376E-05, 1944/25567, Succ: 10000, Eval: 1114290, CPU: 00:00:54
 Rf: 0.0120, Los: 0.06, Rg: 0.00, Cen: 0.15, Ani: 0.00, Fit: 0.0355
Step:   41, T: 0.357E-05, 1939/25567, Succ: 10000, Eval: 1142202, CPU: 00:00:54
 Rf: 0.0100, Los: 0.05, Rg: 0.01, Cen: 0.56, Ani: 0.00, Fit: 0.0330
Step:   42, T: 0.339E-05, 1929/25589, Succ: 10000, Eval: 1169910, CPU: 00:00:55
 Rf: 0.0065, Los: 0.05, Rg: 0.00, Cen: 0.79, Ani: 0.00, Fit: 0.0313
Step:   43, T: 0.322E-05, 1950/25597, Succ: 10000, Eval: 1197692, CPU: 00:00:56
 Rf: 0.0076, Los: 0.05, Rg: 0.00, Cen: 0.30, Ani: 0.00, Fit: 0.0312
Step:   44, T: 0.306E-05, 1951/25601, Succ: 10000, Eval: 1225698, CPU: 00:00:56
 Rf: 0.0082, Los: 0.04, Rg: 0.00, Cen: 0.05, Ani: 0.00, Fit: 0.0312
Step:   45, T: 0.291E-05, 1962/25601, Succ: 10000, Eval: 1255284, CPU: 00:00:57
 Rf: 0.0084, Los: 0.04, Rg: 0.00, Cen: 0.26, Ani: 0.00, Fit: 0.0307
Step:   46, T: 0.276E-05, 2000/25601, Succ: 10000, Eval: 1284890, CPU: 00:00:58
 Rf: 0.0072, Los: 0.04, Rg: 0.00, Cen: 0.08, Ani: 0.00, Fit: 0.0302
Step:   47, T: 0.262E-05, 1973/25617, Succ: 10000, Eval: 1315014, CPU: 00:00:59
 Rf: 0.0066, Los: 0.04, Rg: 0.00, Cen: 0.99, Ani: 0.00, Fit: 0.0285
Step:   48, T: 0.249E-05, 2005/25621, Succ: 10000, Eval: 1344856, CPU: 00:00:59
 Rf: 0.0059, Los: 0.04, Rg: 0.00, Cen: 0.24, Ani: 0.00, Fit: 0.0286
Step:   49, T: 0.237E-05, 1983/25621, Succ: 10000, Eval: 1376102, CPU: 00:01:00
 Rf: 0.0064, Los: 0.04, Rg: 0.00, Cen: 0.07, Ani: 0.00, Fit: 0.0283
Step:   50, T: 0.225E-05, 1959/25623, Succ: 10000, Eval: 1406940, CPU: 00:01:01
 Rf: 0.0063, Los: 0.04, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0274
Step:   51, T: 0.214E-05, 1981/25633, Succ: 10000, Eval: 1438462, CPU: 00:01:02
 Rf: 0.0063, Los: 0.04, Rg: 0.00, Cen: 0.17, Ani: 0.00, Fit: 0.0274
Step:   52, T: 0.203E-05, 2051/25633, Succ: 10000, Eval: 1471096, CPU: 00:01:03
 Rf: 0.0061, Los: 0.03, Rg: 0.00, Cen: 0.11, Ani: 0.00, Fit: 0.0262
Step:   53, T: 0.193E-05, 2015/25633, Succ: 10000, Eval: 1504644, CPU: 00:01:04
 Rf: 0.0059, Los: 0.04, Rg: 0.00, Cen: 0.06, Ani: 0.00, Fit: 0.0274
Step:   54, T: 0.183E-05, 1991/25645, Succ: 10000, Eval: 1539256, CPU: 00:01:04
 Rf: 0.0062, Los: 0.03, Rg: 0.00, Cen: 0.05, Ani: 0.00, Fit: 0.0269
Step:   55, T: 0.174E-05, 2002/25655, Succ: 10000, Eval: 1575448, CPU: 00:01:05
 Rf: 0.0065, Los: 0.03, Rg: 0.00, Cen: 0.10, Ani: 0.00, Fit: 0.0251
Step:   56, T: 0.165E-05, 2031/25655, Succ: 10000, Eval: 1612656, CPU: 00:01:06
 Rf: 0.0061, Los: 0.03, Rg: 0.00, Cen: 0.16, Ani: 0.00, Fit: 0.0247
Step:   57, T: 0.157E-05, 1999/25655, Succ: 10000, Eval: 1650260, CPU: 00:01:07
 Rf: 0.0062, Los: 0.03, Rg: 0.00, Cen: 0.08, Ani: 0.00, Fit: 0.0263
Step:   58, T: 0.149E-05, 2049/25655, Succ: 10000, Eval: 1689330, CPU: 00:01:08
 Rf: 0.0049, Los: 0.03, Rg: 0.00, Cen: 0.32, Ani: 0.00, Fit: 0.0235
Step:   59, T: 0.142E-05, 2070/25655, Succ: 10000, Eval: 1729572, CPU: 00:01:09
 Rf: 0.0058, Los: 0.03, Rg: 0.00, Cen: 0.11, Ani: 0.00, Fit: 0.0244
Step:   60, T: 0.135E-05, 2073/25655, Succ: 10000, Eval: 1770104, CPU: 00:01:10
 Rf: 0.0049, Los: 0.03, Rg: 0.00, Cen: 0.20, Ani: 0.00, Fit: 0.0233
Step:   61, T: 0.128E-05, 2086/25655, Succ: 10000, Eval: 1811586, CPU: 00:01:11
 Rf: 0.0055, Los: 0.03, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0231
Step:   62, T: 0.122E-05, 2085/25655, Succ: 10000, Eval: 1854494, CPU: 00:01:13
 Rf: 0.0054, Los: 0.02, Rg: 0.00, Cen: 0.41, Ani: 0.00, Fit: 0.0227
Step:   63, T: 0.115E-05, 2078/25655, Succ: 10000, Eval: 1898598, CPU: 00:01:14
 Rf: 0.0050, Los: 0.02, Rg: 0.00, Cen: 0.22, Ani: 0.00, Fit: 0.0223
Step:   64, T: 0.110E-05, 2085/25655, Succ: 10000, Eval: 1943186, CPU: 00:01:15
 Rf: 0.0059, Los: 0.02, Rg: 0.00, Cen: 0.09, Ani: 0.00, Fit: 0.0221
Step:   65, T: 0.104E-05, 2133/25655, Succ: 10000, Eval: 1989260, CPU: 00:01:16
 Rf: 0.0056, Los: 0.02, Rg: 0.00, Cen: 0.25, Ani: 0.00, Fit: 0.0217
Step:   66, T: 0.990E-06, 2103/25655, Succ: 10000, Eval: 2036448, CPU: 00:01:18
 Rf: 0.0047, Los: 0.02, Rg: 0.00, Cen: 0.05, Ani: 0.00, Fit: 0.0216
Step:   67, T: 0.941E-06, 2088/25655, Succ: 10000, Eval: 2086508, CPU: 00:01:19
 Rf: 0.0047, Los: 0.02, Rg: 0.00, Cen: 0.09, Ani: 0.00, Fit: 0.0209
Step:   68, T: 0.894E-06, 2159/25655, Succ: 10000, Eval: 2137954, CPU: 00:01:20
 Rf: 0.0048, Los: 0.02, Rg: 0.00, Cen: 0.09, Ani: 0.00, Fit: 0.0205
Step:   69, T: 0.849E-06, 2134/25655, Succ: 10000, Eval: 2189058, CPU: 00:01:22
 Rf: 0.0048, Los: 0.02, Rg: 0.00, Cen: 0.12, Ani: 0.00, Fit: 0.0207
Step:   70, T: 0.807E-06, 2177/25655, Succ: 10000, Eval: 2242910, CPU: 00:01:23
 Rf: 0.0047, Los: 0.02, Rg: 0.00, Cen: 0.05, Ani: 0.00, Fit: 0.0197
Step:   71, T: 0.766E-06, 2137/25655, Succ: 10000, Eval: 2298410, CPU: 00:01:24
 Rf: 0.0046, Los: 0.02, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0197
Step:   72, T: 0.728E-06, 2162/25655, Succ: 10000, Eval: 2356774, CPU: 00:01:26
 Rf: 0.0046, Los: 0.02, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0194
Step:   73, T: 0.691E-06, 2183/25655, Succ: 10000, Eval: 2416168, CPU: 00:01:27
 Rf: 0.0048, Los: 0.02, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0192
Step:   74, T: 0.657E-06, 2194/25655, Succ: 10000, Eval: 2478082, CPU: 00:01:29
 Rf: 0.0046, Los: 0.02, Rg: 0.00, Cen: 0.05, Ani: 0.00, Fit: 0.0185
Step:   75, T: 0.624E-06, 2211/25655, Succ: 10000, Eval: 2543736, CPU: 00:01:31
 Rf: 0.0048, Los: 0.02, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0186
Step:   76, T: 0.593E-06, 2239/25655, Succ: 10000, Eval: 2612520, CPU: 00:01:33
 Rf: 0.0047, Los: 0.02, Rg: 0.00, Cen: 0.09, Ani: 0.00, Fit: 0.0181
Step:   77, T: 0.563E-06, 2217/25655, Succ: 10000, Eval: 2685054, CPU: 00:01:35
 Rf: 0.0046, Los: 0.02, Rg: 0.00, Cen: 0.08, Ani: 0.00, Fit: 0.0183
Step:   78, T: 0.535E-06, 2234/25655, Succ: 10000, Eval: 2760916, CPU: 00:01:36
 Rf: 0.0046, Los: 0.01, Rg: 0.00, Cen: 0.16, Ani: 0.00, Fit: 0.0176
Step:   79, T: 0.508E-06, 2262/25655, Succ: 10000, Eval: 2842664, CPU: 00:01:38
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.04, Ani: 0.00, Fit: 0.0173
Step:   80, T: 0.483E-06, 2285/25655, Succ: 10000, Eval: 2925870, CPU: 00:01:40
 Rf: 0.0044, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0172
Step:   81, T: 0.459E-06, 2285/25655, Succ: 10000, Eval: 3013344, CPU: 00:01:42
 Rf: 0.0044, Los: 0.01, Rg: 0.00, Cen: 0.08, Ani: 0.00, Fit: 0.0171
Step:   82, T: 0.436E-06, 2306/25655, Succ: 10000, Eval: 3105236, CPU: 00:01:45
 Rf: 0.0045, Los: 0.01, Rg: 0.00, Cen: 0.04, Ani: 0.00, Fit: 0.0170
Step:   83, T: 0.414E-06, 2325/25655, Succ: 9984, Eval: 3205236, CPU: 00:01:48
 Rf: 0.0045, Los: 0.01, Rg: 0.00, Cen: 0.07, Ani: 0.00, Fit: 0.0164
Step:   84, T: 0.393E-06, 2315/25655, Succ: 9514, Eval: 3305236, CPU: 00:01:51
 Rf: 0.0045, Los: 0.01, Rg: 0.00, Cen: 0.05, Ani: 0.00, Fit: 0.0164
Step:   85, T: 0.374E-06, 2309/25655, Succ: 9150, Eval: 3405236, CPU: 00:01:53
 Rf: 0.0044, Los: 0.01, Rg: 0.00, Cen: 0.08, Ani: 0.00, Fit: 0.0160
Step:   86, T: 0.355E-06, 2337/25655, Succ: 8654, Eval: 3505236, CPU: 00:01:56
 Rf: 0.0045, Los: 0.01, Rg: 0.00, Cen: 0.08, Ani: 0.00, Fit: 0.0160
Step:   87, T: 0.337E-06, 2321/25655, Succ: 8050, Eval: 3605236, CPU: 00:01:58
 Rf: 0.0044, Los: 0.01, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0160
Step:   88, T: 0.320E-06, 2353/25655, Succ: 7656, Eval: 3705236, CPU: 00:02:01
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0155
Step:   89, T: 0.304E-06, 2335/25655, Succ: 7482, Eval: 3805236, CPU: 00:02:03
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0154
Step:   90, T: 0.289E-06, 2333/25655, Succ: 6482, Eval: 3905236, CPU: 00:02:06
 Rf: 0.0042, Los: 0.01, Rg: 0.00, Cen: 0.04, Ani: 0.00, Fit: 0.0152
Step:   91, T: 0.275E-06, 2369/25655, Succ: 6028, Eval: 4005236, CPU: 00:02:09
 Rf: 0.0042, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0150
Step:   92, T: 0.261E-06, 2393/25655, Succ: 5868, Eval: 4105236, CPU: 00:02:11
 Rf: 0.0044, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0148
Step:   93, T: 0.248E-06, 2387/25655, Succ: 5222, Eval: 4205236, CPU: 00:02:14
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0149
Step:   94, T: 0.235E-06, 2382/25655, Succ: 4658, Eval: 4305236, CPU: 00:02:16
 Rf: 0.0042, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0149
Step:   95, T: 0.224E-06, 2375/25655, Succ: 4622, Eval: 4405236, CPU: 00:02:19
 Rf: 0.0042, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0147
Step:   96, T: 0.213E-06, 2375/25655, Succ: 4516, Eval: 4505236, CPU: 00:02:22
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0145
Step:   97, T: 0.202E-06, 2399/25655, Succ: 4068, Eval: 4605236, CPU: 00:02:24
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0146
Step:   98, T: 0.192E-06, 2407/25655, Succ: 3148, Eval: 4705236, CPU: 00:02:27
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0144
Step:   99, T: 0.182E-06, 2399/25655, Succ: 2816, Eval: 4805236, CPU: 00:02:29
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0142
Step:  100, T: 0.173E-06, 2399/25655, Succ: 2728, Eval: 4905236, CPU: 00:02:32
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.05, Ani: 0.00, Fit: 0.0142
Step:  101, T: 0.164E-06, 2418/25655, Succ: 2030, Eval: 5005236, CPU: 00:02:34
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0140
Step:  102, T: 0.156E-06, 2415/25655, Succ: 1686, Eval: 5105236, CPU: 00:02:37
 Rf: 0.0042, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0138
Step:  103, T: 0.148E-06, 2415/25655, Succ: 1412, Eval: 5205236, CPU: 00:02:40
 Rf: 0.0042, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0138
Step:  104, T: 0.141E-06, 2411/25655, Succ: 1260, Eval: 5305236, CPU: 00:02:43
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0137
Step:  105, T: 0.134E-06, 2407/25655, Succ: 1328, Eval: 5405236, CPU: 00:02:47
 Rf: 0.0044, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0139
Step:  106, T: 0.127E-06, 2419/25655, Succ: 1584, Eval: 5505236, CPU: 00:02:50
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0138
Step:  107, T: 0.121E-06, 2417/25655, Succ: 1166, Eval: 5605236, CPU: 00:02:53
 Rf: 0.0042, Los: 0.01, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0136
Step:  108, T: 0.115E-06, 2413/25655, Succ: 916, Eval: 5705236, CPU: 00:02:57
 Rf: 0.0042, Los: 0.01, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0137
Step:  109, T: 0.109E-06, 2411/25655, Succ: 954, Eval: 5805236, CPU: 00:03:00
 Rf: 0.0042, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0136
Step:  110, T: 0.104E-06, 2415/25655, Succ: 976, Eval: 5905236, CPU: 00:03:04
 Rf: 0.0042, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0136
Step:  111, T: 0.985E-07, 2413/25655, Succ: 1018, Eval: 6005236, CPU: 00:03:08
 Rf: 0.0042, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0136
Step:  112, T: 0.935E-07, 2415/25655, Succ: 822, Eval: 6105236, CPU: 00:03:12
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0136
Step:  113, T: 0.889E-07, 2425/25655, Succ: 738, Eval: 6205236, CPU: 00:03:16
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  114, T: 0.844E-07, 2419/25655, Succ: 590, Eval: 6305236, CPU: 00:03:19
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0136
Step:  115, T: 0.802E-07, 2411/25655, Succ: 588, Eval: 6405236, CPU: 00:03:23
 Rf: 0.0042, Los: 0.01, Rg: 0.00, Cen: 0.04, Ani: 0.00, Fit: 0.0136
Step:  116, T: 0.762E-07, 2429/25655, Succ: 466, Eval: 6505236, CPU: 00:03:26
 Rf: 0.0044, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0135
Step:  117, T: 0.724E-07, 2427/25655, Succ: 354, Eval: 6605236, CPU: 00:03:29
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  118, T: 0.688E-07, 2429/25655, Succ: 338, Eval: 6705236, CPU: 00:03:33
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  119, T: 0.653E-07, 2423/25655, Succ: 282, Eval: 6805236, CPU: 00:03:37
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0135
Step:  120, T: 0.621E-07, 2429/25655, Succ: 382, Eval: 6905236, CPU: 00:03:40
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  121, T: 0.590E-07, 2427/25655, Succ: 282, Eval: 7005236, CPU: 00:03:44
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  122, T: 0.560E-07, 2427/25655, Succ: 272, Eval: 7105236, CPU: 00:03:47
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0135
Step:  123, T: 0.532E-07, 2427/25655, Succ: 268, Eval: 7205236, CPU: 00:03:51
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0135
Step:  124, T: 0.505E-07, 2429/25655, Succ: 238, Eval: 7305236, CPU: 00:03:55
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  125, T: 0.480E-07, 2427/25655, Succ: 210, Eval: 7405236, CPU: 00:03:58
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0135
Step:  126, T: 0.456E-07, 2429/25655, Succ: 262, Eval: 7505236, CPU: 00:04:02
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0135
Step:  127, T: 0.433E-07, 2429/25655, Succ: 220, Eval: 7605236, CPU: 00:04:05
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  128, T: 0.412E-07, 2429/25655, Succ: 188, Eval: 7705236, CPU: 00:04:09
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  129, T: 0.391E-07, 2429/25655, Succ: 148, Eval: 7805236, CPU: 00:04:13
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  130, T: 0.372E-07, 2429/25655, Succ: 176, Eval: 7905236, CPU: 00:04:16
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  131, T: 0.353E-07, 2429/25655, Succ: 184, Eval: 8005236, CPU: 00:04:20
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  132, T: 0.335E-07, 2431/25655, Succ: 174, Eval: 8105236, CPU: 00:04:24
 Rf: 0.0044, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  133, T: 0.319E-07, 2429/25655, Succ: 158, Eval: 8205236, CPU: 00:04:27
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  134, T: 0.303E-07, 2429/25655, Succ: 128, Eval: 8305236, CPU: 00:04:31
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  135, T: 0.288E-07, 2431/25655, Succ: 150, Eval: 8405236, CPU: 00:04:35
 Rf: 0.0044, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  136, T: 0.273E-07, 2429/25655, Succ: 154, Eval: 8505236, CPU: 00:04:39
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  137, T: 0.259E-07, 2429/25655, Succ: 124, Eval: 8605236, CPU: 00:04:42
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  138, T: 0.247E-07, 2431/25655, Succ: 102, Eval: 8705236, CPU: 00:04:46
 Rf: 0.0044, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  139, T: 0.234E-07, 2431/25655, Succ: 168, Eval: 8805236, CPU: 00:04:50
 Rf: 0.0044, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  140, T: 0.222E-07, 2429/25655, Succ: 146, Eval: 8905236, CPU: 00:04:53
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  141, T: 0.211E-07, 2431/25655, Succ: 86, Eval: 9005236, CPU: 00:04:57
 Rf: 0.0044, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  142, T: 0.201E-07, 2429/25655, Succ: 110, Eval: 9105236, CPU: 00:05:01
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0135
Step:  143, T: 0.191E-07, 2429/25655, Succ: 144, Eval: 9205236, CPU: 00:05:04
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  144, T: 0.181E-07, 2431/25655, Succ: 122, Eval: 9305236, CPU: 00:05:08
 Rf: 0.0044, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  145, T: 0.172E-07, 2429/25655, Succ: 126, Eval: 9405236, CPU: 00:05:11
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  146, T: 0.164E-07, 2431/25655, Succ: 98, Eval: 9505236, CPU: 00:05:15
 Rf: 0.0044, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  147, T: 0.155E-07, 2429/25655, Succ: 118, Eval: 9605236, CPU: 00:05:18
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  148, T: 0.148E-07, 2429/25655, Succ: 76, Eval: 9705236, CPU: 00:05:21
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Step:  149, T: 0.140E-07, 2429/25655, Succ: 72, Eval: 9805236, CPU: 00:05:24
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0135
Step:  150, T: 0.133E-07, 2429/25655, Succ: 40, Eval: 9905236, CPU: 00:05:27
 Rf: 0.0043, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0135
Annealing procedure status ....................... : cooled down
Probability that the model fits the data ......... : 0.622E-24
Preparing output files ........................... : pdb, fit, fir
Log closed ....................................... : 24-Jan-2025, 01:23:26