# Receptor and ligand input files receptor = step7_production_1.pdbqt # Grid box center (you'll need to set these to your target binding site's coordinates) center_x = 94.91 center_y = 107.00 center_z = 48.65 # Grid box size in Angstroms size_x = 47 size_y = 47 size_z = 47 # Docking parameters thread = 8192 search_depth = 500 num_modes=500