# Load settings source 1AMP_OH_settings.bcl # Load AMBER parameters loadParam NAME_params.xml # Load AMBER libraries loadLib NAME_stdMol.xml # Read PDB file readPdb NAME NAME_large.pdb # Atom type atomType # Add bonds, angles, torsions, and impropers assignConnectivity # Read charge file readRespCharges /NAME/NAME_large NAME_large_mk0.resp2.chg # Update charges in lib file, mol, groupName updateRespCharges /NAME/NAME_large NAME # Write standard library writeLib NAME NAME_chg0.xml # Print Group Charge printGroupCharge NAME # Exit MCPB quit