Grid Resolution = 0.4
Number Of Steps = 150 |
| Parameters for Genetic Algorithm Docking |
The population size =100
Maximum Generation =5000
Elitism Number =5
Crossover Rate =0.8
Mutation Rate =0.2
Local Search Rate =0.06
Local Search Maximum Iteration =20
Converged When rmsd Population Fitness < 1 Kcal./Mole
Grid Dimensions =67 x 77 x 61
Total Number Of Grid Points =314699
RMSD Calculation : 2 A with defined rotatable bonds and active torsions set to fewest atoms
Grid Resolution =0.4
Grid Dimension = 40,40,40 in X,Y,Z dimensions |
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