source leaprc.gaff
source leaprc.ff12SB

# Load any extra parameters
loadamberparams b2_am1-bcc.frcmod
loadamberparams cb7_am1-bcc.frcmod

# Load structure files MOL2 and PDB
CUC = loadmol2 cb7_am1-bcc.mol2
B2 = loadmol2 b2_am1-bcc.mol2
b2host = loadpdb cb7_b2.pdb

# Add water
solvatebox b2host TIP3PBOX 9.91 iso

# Remove excess waters such that the total count is 1500
remove b2host b2host.1502
remove b2host b2host.1501

# Save topology files
saveamberparm b2host cb7_b2.prmtop cb7_b2.rst7

# Quit
quit
