# Receptor and ligand input files receptor = hladq5.pdbqt # Grid box center (you'll need to set these to your target binding site's coordinates) center_x = 128.73 center_y = 124.59 center_z = 48.73 # Grid box size in Angstroms size_x = 47 size_y = 47 size_z = 47 # Docking parameters thread = 8192 search_depth = 500 num_modes=500