# Receptor and ligand input files
receptor = hla_dq_6_nowat_protein_1.pdbqt

# Grid box center (you'll need to set these to your target binding site's coordinates)
center_x = 125.04
center_y = 103.35
center_z = 70.615

# Grid box size in Angstroms
size_x = 47
size_y = 47
size_z = 47

# Docking parameters
thread = 8192
search_depth = 500
num_modes=500
