=== DAMMIN53 started at 25-Jan-10 21:30:02
Computation mode ....................................... : Fast
Project identificator .................................. : r3Yju9
Project decsription: gnom_f.out /sy P6 /mo F /an Oblate /lo r3Yju9
Random sequence initialized from ....................... : 213002
GNOM file name ......................................... : gnom_f.out
** Information read from the GNOM file **
Data set title: Data divided by constant (Conc)
Raw data file name: trap_f.dat
Maximum diameter of the particle ....................... : 130.0
Solution at Alpha = 0.499E+01 Rg : 0.363E+02 I(0) : 0.396E+02
Radius of gyration read ................................ : 36.30
Number of GNOM data points ............................. : 525
Maximum s value [1/angstrom] ........................... : 0.3189
Number of Shannon channels ............................. : 13.20
Number of knots in the curve to fit .................... : 26
*** Warning: constant reduced to avoid oversubtraction
A constant was subtracted .............................. : 5.826e-2
Maximum order of harmonics ............................. : 10
Point symmetry of the particle ......................... : P6
Sphere diameter [Angstrom] ............................ : 130.0
Packing radius of dummy atoms .......................... : 3.200
Radius of the sphere generated ......................... : 65.00
Number of dummy atoms .................................. : 5611
Number of equivalent positions ......................... : 6
Expected particle anisometry ........................... : Oblate
Excluded volume per atom ............................... : 185.5
Radius of 1st coordination sphere ...................... : 9.024
Minimum number of contacts ............................. : 8
Maximum number of contacts ............................. : 18
Looseness penalty weight ............................... : 3.000e-3
No of non-solvent atoms ................................ : 5611
Initial DAM looseness .................................. : 3.714e-4
Disconnectivity penalty weight ......................... : 3.000e-3
Initial DAM # of graphs ................................ : 1
Discontiguity value .................................. : 0.0
Center of the initial DAM: 0.0000 0.0000 0.0000
Peripheral penalty weight .............................. : 0.3000
Peripheral penalty value ............................... : 0.6074
Looseness fixing threshold ............................. : 5.000e-2
R-factor fixing threshold ............................. : 1.500e-2
*** The structure was randomized ***
No of non-solvent atoms ................................ : 2905
Randomized DAM looseness ............................... : 5.211e-2
Randomized DAM # of graphs ............................. : 1
Discontiguity value .................................. : 0.0
Randomized peripheral penalty value .................... : 0.6174
Anisometry penalty weight .............................. : 0.1000
Weight: 0=s^2, 1=Emphas.s->0, 2=Log .................... : 1
*** Porod weight with emphasis at low s ***
Initial scale factor ................................... : 2.124e-10
Scale factor fixed (Y=Yes, N=No) ....................... : N
Initial R^2 factor ..................................... : 0.5428
Initial R factor ..................................... : 0.7368
Initial penalty ........................................ : 0.1854
Initial fVal ........................................... : 0.7282
Variation of the target function ....................... : 3.916e-4
CPU per function call, seconds ......................... : 1.520e-3
Initial annealing temperature .......................... : 1.175e-3
Annealing schedule factor .............................. : 0.9000
# of independent atoms to modify ....................... : 1
Max # of iterations at each T .......................... : 98192
Max # of successes at each T ........................... : 9819
Min # of successes to continue ......................... : 32
Max # of annealing steps ............................... : 100
==== Simulated annealing procedure started ====
j: 1 T: 0.117E-02 Suc: 9819 Eva: 15997 CPU: 0.197E+02 SqF: 0.6846
Rf: 0.58158 Los:0.1276 Dis:0.0771 Per: 0.4327 Sca: 0.502E-09
j: 2 T: 0.106E-02 Suc: 9819 Eva: 71674 CPU: 0.475E+02 SqF: 0.3018
Rf: 0.10579 Los:0.2147 Dis:0.2497 Per: 0.2908 Sca: 0.317E-08
j: 3 T: 0.952E-03 Suc: 9819 Eva: 135320 CPU: 0.764E+02 SqF: 0.2891
Rf: 0.09125 Los:0.2565 Dis:0.2716 Per: 0.3031 Sca: 0.321E-08
j: 4 T: 0.857E-03 Suc: 9819 Eva: 198377 CPU: 0.105E+03 SqF: 0.2710
Rf: 0.09812 Los:0.2686 Dis:0.3365 Per: 0.2835 Sca: 0.383E-08
j: 5 T: 0.771E-03 Suc: 9819 Eva: 266685 CPU: 0.135E+03 SqF: 0.2515
Rf: 0.06810 Los:0.2193 Dis:0.2168 Per: 0.2908 Sca: 0.338E-08
j: 6 T: 0.694E-03 Suc: 9819 Eva: 335189 CPU: 0.165E+03 SqF: 0.2410
Rf: 0.05915 Los:0.3115 Dis:0.3493 Per: 0.2968 Sca: 0.436E-08
j: 7 T: 0.624E-03 Suc: 9819 Eva: 405483 CPU: 0.195E+03 SqF: 0.2228
Rf: 0.05175 Los:0.2268 Dis:0.2668 Per: 0.2851 Sca: 0.362E-08
j: 8 T: 0.562E-03 Suc: 9819 Eva: 478732 CPU: 0.226E+03 SqF: 0.2108
Rf: 0.04832 Los:0.2734 Dis:0.2763 Per: 0.2820 Sca: 0.410E-08
j: 9 T: 0.506E-03 Suc: 9819 Eva: 552387 CPU: 0.257E+03 SqF: 0.1948
Rf: 0.03106 Los:0.3022 Dis:0.2727 Per: 0.2723 Sca: 0.471E-08
j: 10 T: 0.455E-03 Suc: 9819 Eva: 632506 CPU: 0.290E+03 SqF: 0.1923
Rf: 0.04623 Los:0.2416 Dis:0.2039 Per: 0.2883 Sca: 0.378E-08
j: 11 T: 0.410E-03 Suc: 9819 Eva: 711625 CPU: 0.323E+03 SqF: 0.1796
Rf: 0.03980 Los:0.2661 Dis:0.2484 Per: 0.2783 Sca: 0.399E-08
j: 12 T: 0.369E-03 Suc: 9819 Eva: 794371 CPU: 0.357E+03 SqF: 0.1695
Rf: 0.04717 Los:0.2232 Dis:0.2302 Per: 0.2671 Sca: 0.341E-08
j: 13 T: 0.332E-03 Suc: 9819 Eva: 876052 CPU: 0.391E+03 SqF: 0.1596
Rf: 0.03645 Los:0.2235 Dis:0.2939 Per: 0.2666 Sca: 0.468E-08
j: 14 T: 0.299E-03 Suc: 9819 Eva: 962220 CPU: 0.427E+03 SqF: 0.1527
Rf: 0.03659 Los:0.2272 Dis:0.2369 Per: 0.2700 Sca: 0.368E-08
j: 15 T: 0.269E-03 Suc: 9819 Eva: 1051685 CPU: 0.463E+03 SqF: 0.1467
Rf: 0.03406 Los:0.2284 Dis:0.3007 Per: 0.2736 Sca: 0.421E-08
j: 16 T: 0.242E-03 Suc: 9819 Eva: 1139546 CPU: 0.499E+03 SqF: 0.1364
Rf: 0.02603 Los:0.2626 Dis:0.2252 Per: 0.2667 Sca: 0.454E-08
j: 17 T: 0.218E-03 Suc: 9819 Eva: 1231644 CPU: 0.537E+03 SqF: 0.1328
Rf: 0.02800 Los:0.2353 Dis:0.2941 Per: 0.2744 Sca: 0.414E-08
j: 18 T: 0.196E-03 Suc: 9819 Eva: 1325744 CPU: 0.576E+03 SqF: 0.1230
Rf: 0.02499 Los:0.2323 Dis:0.1919 Per: 0.2644 Sca: 0.429E-08
j: 19 T: 0.176E-03 Suc: 9717 Eva: 1423936 CPU: 0.616E+03 SqF: 0.1177
Rf: 0.03009 Los:0.1907 Dis:0.2049 Per: 0.2610 Sca: 0.430E-08
j: 20 T: 0.159E-03 Suc: 9391 Eva: 1522128 CPU: 0.656E+03 SqF: 0.1131
Rf: 0.02735 Los:0.1646 Dis:0.1936 Per: 0.2708 Sca: 0.389E-08
j: 21 T: 0.143E-03 Suc: 9116 Eva: 1620320 CPU: 0.696E+03 SqF: 0.1081
Rf: 0.02753 Los:0.1891 Dis:0.1788 Per: 0.2696 Sca: 0.335E-08
j: 22 T: 0.129E-03 Suc: 8567 Eva: 1718512 CPU: 0.736E+03 SqF: 0.1030
Rf: 0.02648 Los:0.1882 Dis:0.1857 Per: 0.2676 Sca: 0.379E-08
j: 23 T: 0.116E-03 Suc: 7726 Eva: 1816704 CPU: 0.775E+03 SqF: 0.0973
Rf: 0.02897 Los:0.1770 Dis:0.0862 Per: 0.2651 Sca: 0.367E-08
j: 24 T: 0.104E-03 Suc: 7238 Eva: 1914896 CPU: 0.814E+03 SqF: 0.0940
Rf: 0.02357 Los:0.2022 Dis:0.1344 Per: 0.2735 Sca: 0.416E-08
j: 25 T: 0.937E-04 Suc: 6752 Eva: 2013088 CPU: 0.855E+03 SqF: 0.0882
Rf: 0.02481 Los:0.1777 Dis:0.0840 Per: 0.2668 Sca: 0.368E-08
j: 26 T: 0.843E-04 Suc: 6330 Eva: 2111280 CPU: 0.894E+03 SqF: 0.0846
Rf: 0.02245 Los:0.1704 Dis:0.1165 Per: 0.2688 Sca: 0.343E-08
j: 27 T: 0.759E-04 Suc: 6069 Eva: 2209472 CPU: 0.934E+03 SqF: 0.0802
Rf: 0.02170 Los:0.1611 Dis:0.0506 Per: 0.2744 Sca: 0.369E-08
j: 28 T: 0.683E-04 Suc: 5217 Eva: 2307664 CPU: 0.974E+03 SqF: 0.0774
Rf: 0.02215 Los:0.1724 Dis:0.0744 Per: 0.2730 Sca: 0.390E-08
j: 29 T: 0.615E-04 Suc: 5110 Eva: 2405856 CPU: 0.101E+04 SqF: 0.0729
Rf: 0.02054 Los:0.1188 Dis:0.0438 Per: 0.2802 Sca: 0.328E-08
j: 30 T: 0.553E-04 Suc: 4549 Eva: 2504048 CPU: 0.106E+04 SqF: 0.0691
Rf: 0.02180 Los:0.1254 Dis:0.0146 Per: 0.2748 Sca: 0.360E-08
j: 31 T: 0.498E-04 Suc: 4188 Eva: 2602240 CPU: 0.110E+04 SqF: 0.0678
Rf: 0.01823 Los:0.1731 Dis:0.0662 Per: 0.2786 Sca: 0.351E-08
j: 32 T: 0.448E-04 Suc: 3793 Eva: 2700432 CPU: 0.114E+04 SqF: 0.0629
Rf: 0.01768 Los:0.1348 Dis:0.0215 Per: 0.2777 Sca: 0.351E-08
j: 33 T: 0.403E-04 Suc: 3346 Eva: 2798624 CPU: 0.118E+04 SqF: 0.0608
Rf: 0.02005 Los:0.1504 Dis:0.0166 Per: 0.2713 Sca: 0.366E-08
j: 34 T: 0.363E-04 Suc: 2952 Eva: 2896816 CPU: 0.122E+04 SqF: 0.0591
Rf: 0.01922 Los:0.1484 Dis:0.0464 Per: 0.2742 Sca: 0.363E-08
j: 35 T: 0.327E-04 Suc: 2771 Eva: 2995008 CPU: 0.126E+04 SqF: 0.0553
Rf: 0.01807 Los:0.1249 Dis:0.0019 Per: 0.2822 Sca: 0.385E-08
j: 36 T: 0.294E-04 Suc: 2199 Eva: 3093200 CPU: 0.130E+04 SqF: 0.0536
Rf: 0.01678 Los:0.1327 Dis:0.0323 Per: 0.2788 Sca: 0.347E-08
j: 37 T: 0.265E-04 Suc: 1967 Eva: 3191392 CPU: 0.134E+04 SqF: 0.0499
Rf: 0.01552 Los:0.1096 Dis:0.0040 Per: 0.2817 Sca: 0.441E-08
j: 38 T: 0.238E-04 Suc: 1882 Eva: 3289584 CPU: 0.138E+04 SqF: 0.0495
Rf: 0.01946 Los:0.1144 Dis:0.0206 Per: 0.2736 Sca: 0.317E-08
j: 39 T: 0.214E-04 Suc: 1325 Eva: 3387776 CPU: 0.142E+04 SqF: 0.0463
Rf: 0.01325 Los:0.1315 Dis:0.0018 Per: 0.2865 Sca: 0.379E-08
j: 40 T: 0.193E-04 Suc: 916 Eva: 3485968 CPU: 0.146E+04 SqF: 0.0444
Rf: 0.01590 Los:0.1175 Dis:0.0000 Per: 0.2780 Sca: 0.383E-08
j: 41 T: 0.174E-04 Suc: 740 Eva: 3584160 CPU: 0.150E+04 SqF: 0.0426
Rf: 0.01613 Los:0.1061 Dis:0.0000 Per: 0.2787 Sca: 0.372E-08
j: 42 T: 0.156E-04 Suc: 695 Eva: 3682352 CPU: 0.155E+04 SqF: 0.0416
Rf: 0.01543 Los:0.1199 Dis:0.0018 Per: 0.2834 Sca: 0.376E-08
j: 43 T: 0.141E-04 Suc: 511 Eva: 3780544 CPU: 0.159E+04 SqF: 0.0400
Rf: 0.01535 Los:0.1150 Dis:0.0000 Per: 0.2828 Sca: 0.404E-08
j: 44 T: 0.127E-04 Suc: 533 Eva: 3878736 CPU: 0.163E+04 SqF: 0.0384
Rf: 0.01350 Los:0.1256 Dis:0.0000 Per: 0.2828 Sca: 0.389E-08
j: 45 T: 0.114E-04 Suc: 546 Eva: 3976928 CPU: 0.167E+04 SqF: 0.0366
Rf: 0.01502 Los:0.0989 Dis:0.0000 Per: 0.2819 Sca: 0.338E-08
j: 46 T: 0.103E-04 Suc: 374 Eva: 4075120 CPU: 0.171E+04 SqF: 0.0350
Rf: 0.01526 Los:0.0849 Dis:0.0000 Per: 0.2822 Sca: 0.347E-08
j: 47 T: 0.923E-05 Suc: 352 Eva: 4173312 CPU: 0.175E+04 SqF: 0.0341
Rf: 0.01419 Los:0.0967 Dis:0.0000 Per: 0.2857 Sca: 0.371E-08
j: 48 T: 0.831E-05 Suc: 200 Eva: 4271504 CPU: 0.180E+04 SqF: 0.0330
Rf: 0.01419 Los:0.0942 Dis:0.0000 Per: 0.2857 Sca: 0.371E-08
j: 49 T: 0.748E-05 Suc: 182 Eva: 4369696 CPU: 0.184E+04 SqF: 0.0318
Rf: 0.01481 Los:0.0842 Dis:0.0000 Per: 0.2834 Sca: 0.332E-08
j: 50 T: 0.673E-05 Suc: 100 Eva: 4467888 CPU: 0.188E+04 SqF: 0.0311
Rf: 0.01388 Los:0.0942 Dis:0.0000 Per: 0.2852 Sca: 0.362E-08
j: 51 T: 0.606E-05 Suc: 93 Eva: 4566080 CPU: 0.192E+04 SqF: 0.0304
Rf: 0.01455 Los:0.0916 Dis:0.0000 Per: 0.2832 Sca: 0.353E-08
j: 52 T: 0.545E-05 Suc: 46 Eva: 4664272 CPU: 0.196E+04 SqF: 0.0296
Rf: 0.01456 Los:0.0905 Dis:0.0000 Per: 0.2830 Sca: 0.352E-08
j: 53 T: 0.490E-05 Suc: 51 Eva: 4762464 CPU: 0.200E+04 SqF: 0.0287
Rf: 0.01418 Los:0.0894 Dis:0.0000 Per: 0.2819 Sca: 0.344E-08
j: 54 T: 0.441E-05 Suc: 30 Eva: 4860656 CPU: 0.205E+04 SqF: 0.0284
Rf: 0.01442 Los:0.0925 Dis:0.0000 Per: 0.2829 Sca: 0.354E-08
Final SQRT(Chi) against raw data ....................... : 2.783
===== DAMMIN53 finished at 25-Jan-10 22:04:31

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The results are available here as a zip archive.
Thank you for using DAMMIN.