# Receptor and ligand input files
receptor = md_500_part0002_1.pdbqt

# Grid box center (you'll need to set these to your target binding site's coordinates)
center_x = 137.36
center_y = 148.52
center_z = 61.28

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

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