source leaprc.ff99SB
source leaprc.gaff

loadamberparams frcmod.ionsjc_tip3p
GRF = loadmol2 mol.mol2 
MOD1 = loadamberparams mol.frcmod

# addIons2 GRF Cl- 0
# addIons2 GRF Na+ 0
# solvateOCT GRF TIP3PBOX 12.0 1.0

saveamberparm GRF mol.top mol.crd
savePDB GRF mol_leap.pdb
charge GRF
quit
                                    



