//DIRECTORIES working root directory: /u1/AutoGrow/run_dir fragments directory: /u1/AutoGrow/fragment/large_fragment scripts directory: /u1/AutoGrow/scripts //INPUT FILES initial ligand: /u1/AutoGrow/models/nsc16209.pdb receptor: /u1/AutoGrow/models/1XDN.pdb //AUTODOCK PARAMETERS autodock grid center: 39.000 21.500 13.500 autodock box size: 15 15 15 //EVOLUTION PARAMETERS number of carryovers: 10 number of children: 20 number of mutants: 20 max number atoms: 500 receptor location: 38.754 26.297 9.154 receptor radius: 10 indices of hydrogens that are not linkers: -1 number of generations: 8