# Receptor and ligand input files receptor = hlaqd9_1.pdbqt # Grid box center (you'll need to set these to your target binding site's coordinates) center_x = 74.916 center_y = 105.67 center_z = 45.29 # Grid box size in Angstroms size_x = 47 size_y = 47 size_z = 47 # Docking parameters thread = 8192 search_depth = 500 num_modes=500