dammif ........................................... : r9217
Log opened ....................................... : 11-May-2017, 11:42:09
Run as:
Full command line ................................ : dammif D1-AdhE.out -m=slow -s=P1 --max-bead-count=70000 -u=angstrom --omit-solvent -p=D1-AdhE1_7 --seed=1444943397
Configuration mode ............................... : slow
Angular units .................................... : angstrom
Prefix ........................................... : D1-AdhE1_7
Omit output of solvent ........................... : yes
GNOM input file .................................. : D1-AdhE.out
Expected particle anisometry ..................... : unknown
Enforced particle symmetry ....................... : p1
Pseudo-chains in PDB output ...................... : no
GNOM file:
Title ............................................ :
Angular units .................................... : angstrom
Maximum particle diameter [Angstrom] ............. : 113.
Radius of gyration [Angstrom] .................... : 27.4
Minimum s [1/Angstrom] ........................... : 0.00
Maximum s [1/Angstrom] ........................... : 0.314
Configured as:
Shape class ...................................... : compact
Approx. shape dimension (ri) ..................... : 0.00
Approx. shape dimension (ro) ..................... : 56.5
Approx. shape dimension (h) ...................... : 0.00
Dummy atom radius ................................ : 2.40
Number of spherical harmonics .................... : 20
Proportion of the curve to be fitted ............. : 1.00
Maximum s [1/Angstrom] ........................... : 0.314
Number of shannon channels ....................... : 12
Number of supporting points in spline approx. .... : 12
Probability that the spline approx. fits the data  : 0.417E-36
Weighting function ............................... : emphasised porod
Initial random seed .............................. : 1444943397
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 ............................. : 0.521E-03
Annealing procedure status ....................... : warming up
Initial Rg penalty ............................... : 269.
Initial Center penalty ........................... : 0.178E-13
Initial Looseness penalty ........................ : 0.393E-02
Annealing procedure status ....................... : started
Step:    1, T: 0.526E-04, 5083/15833, Succ: 10000, Eval: 19816, CPU: 00:00:01
 Rf: 0.5017, Los: 0.10, Rg:*****, Cen: 0.70, Ani: 0.00, Fit: 0.6493
Step:    2, T: 0.499E-04, 2769/15890, Succ: 10000, Eval: 52818, CPU: 00:00:04
 Rf: 0.3559, Los: 0.13, Rg:44.01, Cen: 0.87, Ani: 0.00, Fit: 0.4147
Step:    3, T: 0.474E-04, 1211/15897, Succ: 10000, Eval: 92684, CPU: 00:00:06
 Rf: 0.1334, Los: 0.14, Rg: 0.42, Cen: 0.28, Ani: 0.00, Fit: 0.1401
Step:    4, T: 0.451E-04, 1063/16014, Succ: 10000, Eval: 123100, CPU: 00:00:07
 Rf: 0.1006, Los: 0.14, Rg: 0.34, Cen: 0.92, Ani: 0.00, Fit: 0.1090
Step:    5, T: 0.428E-04, 1085/16167, Succ: 10000, Eval: 152841, CPU: 00:00:09
 Rf: 0.1020, Los: 0.14, Rg: 0.46, Cen: 2.43, Ani: 0.00, Fit: 0.1110
Step:    6, T: 0.407E-04, 1075/16249, Succ: 10000, Eval: 182695, CPU: 00:00:10
 Rf: 0.0954, Los: 0.14, Rg: 0.17, Cen: 5.84, Ani: 0.00, Fit: 0.1035
Step:    7, T: 0.386E-04, 1069/16330, Succ: 10000, Eval: 211339, CPU: 00:00:11
 Rf: 0.0914, Los: 0.14, Rg: 0.29, Cen: 6.62, Ani: 0.00, Fit: 0.1005
Step:    8, T: 0.367E-04, 1035/16367, Succ: 10000, Eval: 239920, CPU: 00:00:12
 Rf: 0.0826, Los: 0.13, Rg: 0.28, Cen: 6.94, Ani: 0.00, Fit: 0.0921
Step:    9, T: 0.349E-04, 1011/16467, Succ: 10000, Eval: 268648, CPU: 00:00:14
 Rf: 0.0822, Los: 0.13, Rg: 0.15, Cen: 9.30, Ani: 0.00, Fit: 0.0911
Step:   10, T: 0.331E-04, 987/16553, Succ: 10000, Eval: 296502, CPU: 00:00:15
 Rf: 0.0744, Los: 0.14, Rg: 0.06, Cen: 8.75, Ani: 0.00, Fit: 0.0841
Step:   11, T: 0.315E-04, 983/16648, Succ: 10000, Eval: 324737, CPU: 00:00:16
 Rf: 0.0699, Los: 0.14, Rg: 0.17, Cen: 6.89, Ani: 0.00, Fit: 0.0806
Step:   12, T: 0.299E-04, 1011/16693, Succ: 10000, Eval: 353615, CPU: 00:00:17
 Rf: 0.0673, Los: 0.13, Rg: 0.00, Cen: 6.66, Ani: 0.00, Fit: 0.0768
Step:   13, T: 0.284E-04, 987/16763, Succ: 10000, Eval: 383428, CPU: 00:00:19
 Rf: 0.0659, Los: 0.13, Rg: 0.15, Cen: 7.02, Ani: 0.00, Fit: 0.0768
Step:   14, T: 0.270E-04, 943/16846, Succ: 10000, Eval: 412359, CPU: 00:00:20
 Rf: 0.0523, Los: 0.13, Rg: 0.04, Cen: 8.29, Ani: 0.00, Fit: 0.0647
Step:   15, T: 0.256E-04, 911/16907, Succ: 10000, Eval: 441854, CPU: 00:00:21
 Rf: 0.0506, Los: 0.14, Rg: 0.12, Cen: 8.43, Ani: 0.00, Fit: 0.0648
Step:   16, T: 0.244E-04, 957/16985, Succ: 10000, Eval: 471798, CPU: 00:00:23
 Rf: 0.0553, Los: 0.13, Rg: 0.11, Cen: 8.26, Ani: 0.00, Fit: 0.0676
Step:   17, T: 0.231E-04, 921/17009, Succ: 10000, Eval: 500502, CPU: 00:00:24
 Rf: 0.0479, Los: 0.14, Rg: 0.07, Cen: 7.22, Ani: 0.00, Fit: 0.0617
Step:   18, T: 0.220E-04, 923/17061, Succ: 10000, Eval: 528450, CPU: 00:00:25
 Rf: 0.0478, Los: 0.13, Rg: 0.01, Cen: 6.41, Ani: 0.00, Fit: 0.0605
Step:   19, T: 0.209E-04, 943/17063, Succ: 10000, Eval: 556120, CPU: 00:00:26
 Rf: 0.0466, Los: 0.12, Rg: 0.12, Cen: 5.34, Ani: 0.00, Fit: 0.0599
Step:   20, T: 0.198E-04, 925/17075, Succ: 10000, Eval: 583505, CPU: 00:00:27
 Rf: 0.0397, Los: 0.13, Rg: 0.03, Cen: 5.45, Ani: 0.00, Fit: 0.0542
Step:   21, T: 0.188E-04, 941/17091, Succ: 10000, Eval: 611860, CPU: 00:00:28
 Rf: 0.0453, Los: 0.12, Rg: 0.07, Cen: 5.42, Ani: 0.00, Fit: 0.0584
Step:   22, T: 0.179E-04, 931/17092, Succ: 10000, Eval: 640275, CPU: 00:00:30
 Rf: 0.0436, Los: 0.12, Rg: 0.00, Cen: 6.68, Ani: 0.00, Fit: 0.0566
Step:   23, T: 0.170E-04, 867/17112, Succ: 10000, Eval: 669237, CPU: 00:00:31
 Rf: 0.0376, Los: 0.14, Rg: 0.00, Cen: 3.41, Ani: 0.00, Fit: 0.0529
Step:   24, T: 0.162E-04, 887/17202, Succ: 10000, Eval: 697605, CPU: 00:00:32
 Rf: 0.0359, Los: 0.13, Rg: 0.03, Cen: 4.02, Ani: 0.00, Fit: 0.0519
Step:   25, T: 0.153E-04, 903/17298, Succ: 10000, Eval: 724788, CPU: 00:00:33
 Rf: 0.0339, Los: 0.12, Rg: 0.01, Cen: 4.24, Ani: 0.00, Fit: 0.0486
Step:   26, T: 0.146E-04, 905/17326, Succ: 10000, Eval: 752900, CPU: 00:00:34
 Rf: 0.0310, Los: 0.12, Rg: 0.02, Cen: 5.79, Ani: 0.00, Fit: 0.0477
Step:   27, T: 0.139E-04, 913/17350, Succ: 10000, Eval: 780592, CPU: 00:00:35
 Rf: 0.0338, Los: 0.12, Rg: 0.01, Cen: 3.98, Ani: 0.00, Fit: 0.0489
Step:   28, T: 0.132E-04, 915/17395, Succ: 10000, Eval: 807686, CPU: 00:00:36
 Rf: 0.0334, Los: 0.12, Rg: 0.00, Cen: 2.16, Ani: 0.00, Fit: 0.0483
Step:   29, T: 0.125E-04, 879/17408, Succ: 10000, Eval: 835642, CPU: 00:00:38
 Rf: 0.0289, Los: 0.12, Rg: 0.01, Cen: 3.54, Ani: 0.00, Fit: 0.0458
Step:   30, T: 0.119E-04, 885/17418, Succ: 10000, Eval: 863304, CPU: 00:00:39
 Rf: 0.0305, Los: 0.12, Rg: 0.01, Cen: 3.66, Ani: 0.00, Fit: 0.0461
Step:   31, T: 0.113E-04, 875/17425, Succ: 10000, Eval: 890626, CPU: 00:00:40
 Rf: 0.0241, Los: 0.12, Rg: 0.00, Cen: 2.77, Ani: 0.00, Fit: 0.0422
Step:   32, T: 0.107E-04, 869/17487, Succ: 10000, Eval: 916382, CPU: 00:00:41
 Rf: 0.0265, Los: 0.12, Rg: 0.00, Cen: 3.55, Ani: 0.00, Fit: 0.0442
Step:   33, T: 0.102E-04, 899/17519, Succ: 10000, Eval: 942265, CPU: 00:00:42
 Rf: 0.0277, Los: 0.11, Rg: 0.00, Cen: 2.50, Ani: 0.00, Fit: 0.0437
Step:   34, T: 0.967E-05, 883/17523, Succ: 10000, Eval: 969045, CPU: 00:00:43
 Rf: 0.0197, Los: 0.11, Rg: 0.02, Cen: 2.52, Ani: 0.00, Fit: 0.0394
Step:   35, T: 0.919E-05, 859/17564, Succ: 10000, Eval: 995064, CPU: 00:00:44
 Rf: 0.0244, Los: 0.11, Rg: 0.00, Cen: 2.19, Ani: 0.00, Fit: 0.0418
Step:   36, T: 0.873E-05, 895/17580, Succ: 10000, Eval: 1021337, CPU: 00:00:45
 Rf: 0.0231, Los: 0.10, Rg: 0.00, Cen: 2.04, Ani: 0.00, Fit: 0.0395
Step:   37, T: 0.829E-05, 879/17593, Succ: 10000, Eval: 1047888, CPU: 00:00:46
 Rf: 0.0190, Los: 0.10, Rg: 0.00, Cen: 2.12, Ani: 0.00, Fit: 0.0378
Step:   38, T: 0.788E-05, 853/17593, Succ: 10000, Eval: 1073909, CPU: 00:00:47
 Rf: 0.0206, Los: 0.11, Rg: 0.00, Cen: 2.76, Ani: 0.00, Fit: 0.0394
Step:   39, T: 0.749E-05, 847/17625, Succ: 10000, Eval: 1099028, CPU: 00:00:48
 Rf: 0.0197, Los: 0.11, Rg: 0.00, Cen: 1.41, Ani: 0.00, Fit: 0.0382
Step:   40, T: 0.711E-05, 871/17625, Succ: 10000, Eval: 1124652, CPU: 00:00:49
 Rf: 0.0188, Los: 0.10, Rg: 0.00, Cen: 0.62, Ani: 0.00, Fit: 0.0371
Step:   41, T: 0.676E-05, 873/17625, Succ: 10000, Eval: 1149778, CPU: 00:00:50
 Rf: 0.0188, Los: 0.10, Rg: 0.01, Cen: 1.23, Ani: 0.00, Fit: 0.0371
Step:   42, T: 0.642E-05, 889/17629, Succ: 10000, Eval: 1174409, CPU: 00:00:51
 Rf: 0.0178, Los: 0.09, Rg: 0.00, Cen: 1.26, Ani: 0.00, Fit: 0.0350
Step:   43, T: 0.610E-05, 869/17640, Succ: 10000, Eval: 1199670, CPU: 00:00:52
 Rf: 0.0120, Los: 0.09, Rg: 0.00, Cen: 0.36, Ani: 0.00, Fit: 0.0330
Step:   44, T: 0.579E-05, 895/17643, Succ: 10000, Eval: 1225402, CPU: 00:00:52
 Rf: 0.0147, Los: 0.09, Rg: 0.00, Cen: 1.59, Ani: 0.00, Fit: 0.0333
Step:   45, T: 0.550E-05, 891/17665, Succ: 10000, Eval: 1252508, CPU: 00:00:53
 Rf: 0.0147, Los: 0.10, Rg: 0.00, Cen: 1.38, Ani: 0.00, Fit: 0.0345
Step:   46, T: 0.523E-05, 885/17678, Succ: 10000, Eval: 1277412, CPU: 00:00:54
 Rf: 0.0144, Los: 0.08, Rg: 0.00, Cen: 1.58, Ani: 0.00, Fit: 0.0324
Step:   47, T: 0.497E-05, 887/17684, Succ: 10000, Eval: 1302718, CPU: 00:00:55
 Rf: 0.0133, Los: 0.09, Rg: 0.00, Cen: 2.40, Ani: 0.00, Fit: 0.0326
Step:   48, T: 0.472E-05, 867/17685, Succ: 10000, Eval: 1328016, CPU: 00:00:56
 Rf: 0.0102, Los: 0.08, Rg: 0.00, Cen: 4.48, Ani: 0.00, Fit: 0.0313
Step:   49, T: 0.448E-05, 845/17687, Succ: 10000, Eval: 1353405, CPU: 00:00:57
 Rf: 0.0123, Los: 0.09, Rg: 0.00, Cen: 2.88, Ani: 0.00, Fit: 0.0333
Step:   50, T: 0.426E-05, 861/17688, Succ: 10000, Eval: 1378562, CPU: 00:00:58
 Rf: 0.0122, Los: 0.09, Rg: 0.00, Cen: 2.74, Ani: 0.00, Fit: 0.0327
Step:   51, T: 0.404E-05, 871/17691, Succ: 10000, Eval: 1403900, CPU: 00:00:59
 Rf: 0.0111, Los: 0.08, Rg: 0.01, Cen: 1.40, Ani: 0.00, Fit: 0.0312
Step:   52, T: 0.384E-05, 873/17692, Succ: 10000, Eval: 1429246, CPU: 00:01:00
 Rf: 0.0100, Los: 0.07, Rg: 0.00, Cen: 1.56, Ani: 0.00, Fit: 0.0294
Step:   53, T: 0.365E-05, 877/17692, Succ: 10000, Eval: 1453987, CPU: 00:01:01
 Rf: 0.0118, Los: 0.07, Rg: 0.01, Cen: 1.65, Ani: 0.00, Fit: 0.0295
Step:   54, T: 0.347E-05, 871/17735, Succ: 10000, Eval: 1478647, CPU: 00:01:01
 Rf: 0.0096, Los: 0.08, Rg: 0.00, Cen: 1.15, Ani: 0.00, Fit: 0.0293
Step:   55, T: 0.329E-05, 877/17751, Succ: 10000, Eval: 1504509, CPU: 00:01:02
 Rf: 0.0091, Los: 0.07, Rg: 0.00, Cen: 0.39, Ani: 0.00, Fit: 0.0279
Step:   56, T: 0.313E-05, 881/17774, Succ: 10000, Eval: 1529943, CPU: 00:01:03
 Rf: 0.0097, Los: 0.07, Rg: 0.00, Cen: 0.44, Ani: 0.00, Fit: 0.0275
Step:   57, T: 0.297E-05, 863/17784, Succ: 10000, Eval: 1555405, CPU: 00:01:04
 Rf: 0.0086, Los: 0.07, Rg: 0.00, Cen: 1.98, Ani: 0.00, Fit: 0.0276
Step:   58, T: 0.282E-05, 895/17790, Succ: 10000, Eval: 1581211, CPU: 00:01:05
 Rf: 0.0096, Los: 0.07, Rg: 0.00, Cen: 1.21, Ani: 0.00, Fit: 0.0278
Step:   59, T: 0.268E-05, 923/17797, Succ: 10000, Eval: 1607178, CPU: 00:01:06
 Rf: 0.0090, Los: 0.06, Rg: 0.00, Cen: 0.45, Ani: 0.00, Fit: 0.0264
Step:   60, T: 0.255E-05, 873/17799, Succ: 10000, Eval: 1633683, CPU: 00:01:07
 Rf: 0.0058, Los: 0.06, Rg: 0.00, Cen: 0.86, Ani: 0.00, Fit: 0.0254
Step:   61, T: 0.242E-05, 915/17836, Succ: 10000, Eval: 1659942, CPU: 00:01:08
 Rf: 0.0085, Los: 0.06, Rg: 0.00, Cen: 0.63, Ani: 0.00, Fit: 0.0257
Step:   62, T: 0.230E-05, 901/17843, Succ: 10000, Eval: 1686391, CPU: 00:01:08
 Rf: 0.0056, Los: 0.05, Rg: 0.00, Cen: 0.18, Ani: 0.00, Fit: 0.0239
Step:   63, T: 0.219E-05, 889/17858, Succ: 10000, Eval: 1713811, CPU: 00:01:09
 Rf: 0.0073, Los: 0.06, Rg: 0.00, Cen: 0.66, Ani: 0.00, Fit: 0.0248
Step:   64, T: 0.208E-05, 891/17878, Succ: 10000, Eval: 1740326, CPU: 00:01:10
 Rf: 0.0047, Los: 0.05, Rg: 0.00, Cen: 0.43, Ani: 0.00, Fit: 0.0235
Step:   65, T: 0.197E-05, 901/17910, Succ: 10000, Eval: 1767305, CPU: 00:01:11
 Rf: 0.0057, Los: 0.05, Rg: 0.00, Cen: 0.43, Ani: 0.00, Fit: 0.0234
Step:   66, T: 0.187E-05, 907/17926, Succ: 10000, Eval: 1795484, CPU: 00:01:12
 Rf: 0.0065, Los: 0.05, Rg: 0.00, Cen: 0.23, Ani: 0.00, Fit: 0.0238
Step:   67, T: 0.178E-05, 895/17935, Succ: 10000, Eval: 1824346, CPU: 00:01:13
 Rf: 0.0047, Los: 0.05, Rg: 0.00, Cen: 0.18, Ani: 0.00, Fit: 0.0229
Step:   68, T: 0.169E-05, 923/17946, Succ: 10000, Eval: 1853719, CPU: 00:01:14
 Rf: 0.0050, Los: 0.04, Rg: 0.00, Cen: 0.38, Ani: 0.00, Fit: 0.0219
Step:   69, T: 0.161E-05, 927/17956, Succ: 10000, Eval: 1882663, CPU: 00:01:15
 Rf: 0.0045, Los: 0.04, Rg: 0.00, Cen: 0.45, Ani: 0.00, Fit: 0.0218
Step:   70, T: 0.153E-05, 921/17963, Succ: 10000, Eval: 1912103, CPU: 00:01:16
 Rf: 0.0040, Los: 0.04, Rg: 0.00, Cen: 0.19, Ani: 0.00, Fit: 0.0210
Step:   71, T: 0.145E-05, 923/17971, Succ: 10000, Eval: 1941829, CPU: 00:01:17
 Rf: 0.0039, Los: 0.04, Rg: 0.00, Cen: 0.81, Ani: 0.00, Fit: 0.0212
Step:   72, T: 0.138E-05, 943/17971, Succ: 10000, Eval: 1972694, CPU: 00:01:18
 Rf: 0.0040, Los: 0.04, Rg: 0.00, Cen: 0.68, Ani: 0.00, Fit: 0.0203
Step:   73, T: 0.131E-05, 945/17972, Succ: 10000, Eval: 2003671, CPU: 00:01:19
 Rf: 0.0042, Los: 0.04, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0197
Step:   74, T: 0.124E-05, 951/17972, Succ: 10000, Eval: 2035124, CPU: 00:01:20
 Rf: 0.0054, Los: 0.04, Rg: 0.00, Cen: 0.43, Ani: 0.00, Fit: 0.0200
Step:   75, T: 0.118E-05, 939/17973, Succ: 10000, Eval: 2067145, CPU: 00:01:21
 Rf: 0.0042, Los: 0.04, Rg: 0.00, Cen: 0.71, Ani: 0.00, Fit: 0.0199
Step:   76, T: 0.112E-05, 937/17974, Succ: 10000, Eval: 2099445, CPU: 00:01:22
 Rf: 0.0036, Los: 0.04, Rg: 0.00, Cen: 0.25, Ani: 0.00, Fit: 0.0195
Step:   77, T: 0.107E-05, 969/17974, Succ: 10000, Eval: 2132048, CPU: 00:01:23
 Rf: 0.0038, Los: 0.03, Rg: 0.00, Cen: 0.13, Ani: 0.00, Fit: 0.0186
Step:   78, T: 0.101E-05, 947/17974, Succ: 10000, Eval: 2166231, CPU: 00:01:24
 Rf: 0.0023, Los: 0.04, Rg: 0.00, Cen: 0.25, Ani: 0.00, Fit: 0.0191
Step:   79, T: 0.962E-06, 959/17974, Succ: 10000, Eval: 2201379, CPU: 00:01:25
 Rf: 0.0038, Los: 0.03, Rg: 0.00, Cen: 0.11, Ani: 0.00, Fit: 0.0185
Step:   80, T: 0.914E-06, 981/17974, Succ: 10000, Eval: 2237422, CPU: 00:01:26
 Rf: 0.0034, Los: 0.03, Rg: 0.00, Cen: 0.34, Ani: 0.00, Fit: 0.0176
Step:   81, T: 0.868E-06, 983/17974, Succ: 10000, Eval: 2274418, CPU: 00:01:27
 Rf: 0.0023, Los: 0.03, Rg: 0.00, Cen: 0.17, Ani: 0.00, Fit: 0.0176
Step:   82, T: 0.825E-06, 955/17974, Succ: 10000, Eval: 2312126, CPU: 00:01:29
 Rf: 0.0025, Los: 0.03, Rg: 0.00, Cen: 0.29, Ani: 0.00, Fit: 0.0180
Step:   83, T: 0.783E-06, 977/17974, Succ: 10000, Eval: 2351195, CPU: 00:01:30
 Rf: 0.0030, Los: 0.03, Rg: 0.00, Cen: 0.17, Ani: 0.00, Fit: 0.0170
Step:   84, T: 0.744E-06, 983/17974, Succ: 10000, Eval: 2390140, CPU: 00:01:31
 Rf: 0.0022, Los: 0.03, Rg: 0.00, Cen: 0.11, Ani: 0.00, Fit: 0.0166
Step:   85, T: 0.707E-06, 981/17974, Succ: 10000, Eval: 2431098, CPU: 00:01:32
 Rf: 0.0022, Los: 0.03, Rg: 0.00, Cen: 0.31, Ani: 0.00, Fit: 0.0171
Step:   86, T: 0.672E-06, 995/17974, Succ: 10000, Eval: 2472889, CPU: 00:01:34
 Rf: 0.0016, Los: 0.03, Rg: 0.00, Cen: 0.44, Ani: 0.00, Fit: 0.0164
Step:   87, T: 0.638E-06, 995/17974, Succ: 10000, Eval: 2515132, CPU: 00:01:35
 Rf: 0.0023, Los: 0.02, Rg: 0.00, Cen: 0.26, Ani: 0.00, Fit: 0.0159
Step:   88, T: 0.606E-06, 991/17974, Succ: 10000, Eval: 2558813, CPU: 00:01:36
 Rf: 0.0014, Los: 0.03, Rg: 0.00, Cen: 0.10, Ani: 0.00, Fit: 0.0161
Step:   89, T: 0.576E-06, 1019/17974, Succ: 10000, Eval: 2603680, CPU: 00:01:38
 Rf: 0.0017, Los: 0.02, Rg: 0.00, Cen: 0.06, Ani: 0.00, Fit: 0.0154
Step:   90, T: 0.547E-06, 1031/17974, Succ: 10000, Eval: 2650158, CPU: 00:01:39
 Rf: 0.0021, Los: 0.02, Rg: 0.00, Cen: 0.32, Ani: 0.00, Fit: 0.0150
Step:   91, T: 0.520E-06, 1017/17974, Succ: 10000, Eval: 2698381, CPU: 00:01:41
 Rf: 0.0026, Los: 0.02, Rg: 0.00, Cen: 0.19, Ani: 0.00, Fit: 0.0152
Step:   92, T: 0.494E-06, 1037/17974, Succ: 10000, Eval: 2748790, CPU: 00:01:43
 Rf: 0.0029, Los: 0.02, Rg: 0.00, Cen: 0.30, Ani: 0.00, Fit: 0.0151
Step:   93, T: 0.469E-06, 1015/17974, Succ: 10000, Eval: 2800603, CPU: 00:01:44
 Rf: 0.0014, Los: 0.02, Rg: 0.00, Cen: 0.11, Ani: 0.00, Fit: 0.0149
Step:   94, T: 0.446E-06, 1037/17974, Succ: 10000, Eval: 2853065, CPU: 00:01:46
 Rf: 0.0019, Los: 0.02, Rg: 0.00, Cen: 0.14, Ani: 0.00, Fit: 0.0146
Step:   95, T: 0.423E-06, 1033/17974, Succ: 10000, Eval: 2908970, CPU: 00:01:48
 Rf: 0.0020, Los: 0.02, Rg: 0.00, Cen: 0.17, Ani: 0.00, Fit: 0.0141
Step:   96, T: 0.402E-06, 1037/17974, Succ: 10000, Eval: 2967418, CPU: 00:01:50
 Rf: 0.0016, Los: 0.02, Rg: 0.00, Cen: 0.07, Ani: 0.00, Fit: 0.0141
Step:   97, T: 0.382E-06, 1053/17974, Succ: 10000, Eval: 3027437, CPU: 00:01:52
 Rf: 0.0020, Los: 0.02, Rg: 0.00, Cen: 0.16, Ani: 0.00, Fit: 0.0138
Step:   98, T: 0.363E-06, 1059/17974, Succ: 10000, Eval: 3090113, CPU: 00:01:54
 Rf: 0.0014, Los: 0.02, Rg: 0.00, Cen: 0.25, Ani: 0.00, Fit: 0.0136
Step:   99, T: 0.345E-06, 1071/17974, Succ: 10000, Eval: 3155597, CPU: 00:01:56
 Rf: 0.0018, Los: 0.02, Rg: 0.00, Cen: 0.14, Ani: 0.00, Fit: 0.0132
Step:  100, T: 0.328E-06, 1061/17974, Succ: 10000, Eval: 3225524, CPU: 00:01:58
 Rf: 0.0014, Los: 0.02, Rg: 0.00, Cen: 0.07, Ani: 0.00, Fit: 0.0131
Step:  101, T: 0.311E-06, 1057/17974, Succ: 10000, Eval: 3299457, CPU: 00:02:00
 Rf: 0.0013, Los: 0.02, Rg: 0.00, Cen: 0.05, Ani: 0.00, Fit: 0.0130
Step:  102, T: 0.296E-06, 1063/17974, Succ: 10000, Eval: 3377520, CPU: 00:02:03
 Rf: 0.0013, Los: 0.02, Rg: 0.00, Cen: 0.15, Ani: 0.00, Fit: 0.0130
Step:  103, T: 0.281E-06, 1075/17974, Succ: 10000, Eval: 3457658, CPU: 00:02:06
 Rf: 0.0017, Los: 0.02, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0126
Step:  104, T: 0.267E-06, 1087/17974, Succ: 10000, Eval: 3544618, CPU: 00:02:08
 Rf: 0.0011, Los: 0.01, Rg: 0.00, Cen: 0.06, Ani: 0.00, Fit: 0.0123
Step:  105, T: 0.253E-06, 1091/17974, Succ: 10000, Eval: 3635531, CPU: 00:02:11
 Rf: 0.0011, Los: 0.01, Rg: 0.00, Cen: 0.09, Ani: 0.00, Fit: 0.0122
Step:  106, T: 0.241E-06, 1099/17974, Succ: 10000, Eval: 3729256, CPU: 00:02:14
 Rf: 0.0014, Los: 0.01, Rg: 0.00, Cen: 0.04, Ani: 0.00, Fit: 0.0123
Step:  107, T: 0.229E-06, 1099/17974, Succ: 9686, Eval: 3829256, CPU: 00:02:18
 Rf: 0.0018, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0122
Step:  108, T: 0.217E-06, 1116/17974, Succ: 9485, Eval: 3929256, CPU: 00:02:21
 Rf: 0.0012, Los: 0.01, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0116
Step:  109, T: 0.206E-06, 1100/17974, Succ: 8674, Eval: 4029256, CPU: 00:02:24
 Rf: 0.0017, Los: 0.01, Rg: 0.00, Cen: 0.04, Ani: 0.00, Fit: 0.0120
Step:  110, T: 0.196E-06, 1103/17974, Succ: 8203, Eval: 4129256, CPU: 00:02:27
 Rf: 0.0013, Los: 0.01, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0117
Step:  111, T: 0.186E-06, 1114/17974, Succ: 7623, Eval: 4229256, CPU: 00:02:31
 Rf: 0.0009, Los: 0.01, Rg: 0.00, Cen: 0.04, Ani: 0.00, Fit: 0.0115
Step:  112, T: 0.177E-06, 1103/17974, Succ: 6809, Eval: 4329256, CPU: 00:02:34
 Rf: 0.0009, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0114
Step:  113, T: 0.168E-06, 1115/17974, Succ: 6546, Eval: 4429256, CPU: 00:02:37
 Rf: 0.0010, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0112
Step:  114, T: 0.160E-06, 1125/17974, Succ: 6128, Eval: 4529256, CPU: 00:02:40
 Rf: 0.0010, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0110
Step:  115, T: 0.152E-06, 1137/17974, Succ: 5426, Eval: 4629256, CPU: 00:02:44
 Rf: 0.0009, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0108
Step:  116, T: 0.144E-06, 1143/17974, Succ: 4938, Eval: 4729256, CPU: 00:02:47
 Rf: 0.0010, Los: 0.01, Rg: 0.00, Cen: 0.04, Ani: 0.00, Fit: 0.0108
Step:  117, T: 0.137E-06, 1131/17974, Succ: 4438, Eval: 4829256, CPU: 00:02:50
 Rf: 0.0010, Los: 0.01, Rg: 0.00, Cen: 0.06, Ani: 0.00, Fit: 0.0107
Step:  118, T: 0.130E-06, 1140/17974, Succ: 3993, Eval: 4929256, CPU: 00:02:54
 Rf: 0.0013, Los: 0.01, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0106
Step:  119, T: 0.124E-06, 1135/17974, Succ: 3317, Eval: 5029256, CPU: 00:02:57
 Rf: 0.0010, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0106
Step:  120, T: 0.117E-06, 1137/17974, Succ: 3132, Eval: 5129256, CPU: 00:03:00
 Rf: 0.0008, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0106
Step:  121, T: 0.112E-06, 1152/17974, Succ: 2819, Eval: 5229256, CPU: 00:03:03
 Rf: 0.0011, Los: 0.01, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0104
Step:  122, T: 0.106E-06, 1152/17974, Succ: 2656, Eval: 5329256, CPU: 00:03:07
 Rf: 0.0008, Los: 0.01, Rg: 0.00, Cen: 0.05, Ani: 0.00, Fit: 0.0103
Step:  123, T: 0.101E-06, 1154/17974, Succ: 2226, Eval: 5429256, CPU: 00:03:10
 Rf: 0.0010, Los: 0.01, Rg: 0.00, Cen: 0.05, Ani: 0.00, Fit: 0.0103
Step:  124, T: 0.957E-07, 1166/17974, Succ: 1902, Eval: 5529256, CPU: 00:03:13
 Rf: 0.0010, Los: 0.01, Rg: 0.00, Cen: 0.04, Ani: 0.00, Fit: 0.0101
Step:  125, T: 0.909E-07, 1162/17974, Succ: 1614, Eval: 5629256, CPU: 00:03:17
 Rf: 0.0012, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0100
Step:  126, T: 0.863E-07, 1171/17974, Succ: 1561, Eval: 5729256, CPU: 00:03:20
 Rf: 0.0010, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0100
Step:  127, T: 0.820E-07, 1165/17974, Succ: 1190, Eval: 5829256, CPU: 00:03:23
 Rf: 0.0009, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0099
Step:  128, T: 0.779E-07, 1166/17974, Succ: 1005, Eval: 5929256, CPU: 00:03:26
 Rf: 0.0011, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0099
Step:  129, T: 0.740E-07, 1167/17974, Succ: 755, Eval: 6029256, CPU: 00:03:30
 Rf: 0.0009, Los: 0.01, Rg: 0.00, Cen: 0.05, Ani: 0.00, Fit: 0.0099
Step:  130, T: 0.703E-07, 1168/17974, Succ: 663, Eval: 6129256, CPU: 00:03:33
 Rf: 0.0009, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0098
Step:  131, T: 0.668E-07, 1176/17974, Succ: 590, Eval: 6229256, CPU: 00:03:36
 Rf: 0.0008, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0098
Step:  132, T: 0.635E-07, 1170/17974, Succ: 514, Eval: 6329256, CPU: 00:03:40
 Rf: 0.0007, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0098
Step:  133, T: 0.603E-07, 1180/17974, Succ: 336, Eval: 6429256, CPU: 00:03:43
 Rf: 0.0010, Los: 0.01, Rg: 0.00, Cen: 0.03, Ani: 0.00, Fit: 0.0097
Step:  134, T: 0.573E-07, 1179/17974, Succ: 199, Eval: 6529256, CPU: 00:03:46
 Rf: 0.0009, Los: 0.01, Rg: 0.00, Cen: 0.02, Ani: 0.00, Fit: 0.0097
Step:  135, T: 0.544E-07, 1179/17974, Succ: 182, Eval: 6629256, CPU: 00:03:50
 Rf: 0.0009, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0097
Step:  136, T: 0.517E-07, 1179/17974, Succ: 206, Eval: 6729256, CPU: 00:03:53
 Rf: 0.0010, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0096
Step:  137, T: 0.491E-07, 1173/17974, Succ: 122, Eval: 6829256, CPU: 00:03:56
 Rf: 0.0008, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0097
Step:  138, T: 0.466E-07, 1178/17974, Succ: 109, Eval: 6929256, CPU: 00:03:59
 Rf: 0.0008, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0097
Step:  139, T: 0.443E-07, 1181/17974, Succ: 161, Eval: 7029256, CPU: 00:04:03
 Rf: 0.0010, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0096
Step:  140, T: 0.421E-07, 1179/17974, Succ: 72, Eval: 7129256, CPU: 00:04:06
 Rf: 0.0009, Los: 0.01, Rg: 0.00, Cen: 0.00, Ani: 0.00, Fit: 0.0097
Step:  141, T: 0.400E-07, 1180/17974, Succ: 55, Eval: 7229256, CPU: 00:04:09
 Rf: 0.0008, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0096
Step:  142, T: 0.380E-07, 1180/17974, Succ: 4, Eval: 7329256, CPU: 00:04:13
 Rf: 0.0008, Los: 0.01, Rg: 0.00, Cen: 0.01, Ani: 0.00, Fit: 0.0096
Annealing procedure status ....................... : cooled down
Probability that the model fits the data ......... : 0.460
Preparing output files ........................... : pdb, fit, fir
Log closed ....................................... : 11-May-2017, 11:46:27