# Set up complex for GBSA simulation with OBC model.

# Load AMBER '96 forcefield for protein.
source leaprc.ff96

# Load GAFF parameters.
source leaprc.gaff

# Set GB radii to recommended values for OBC.
set default PBRadii mbondi2 

# Load parameters for ligand.
mods = loadAmberParams ligand.frcmod

# Load parameters for ligand.
loadAmberParams ligand.frcmod

# Load ligand.
ligand = loadMol2 ligand.mol2

# Write parameters.
saveAmberParm ligand ligand.prmtop ligand.crd

# Exit
quit