# change location of files accordingly
source leaprc.gaff
BMI = loadmol2 bmi.mol2
BF4 = loadmol2 bf4.mol2
ACN = loadmol2 acn.mol2
ionic2 = loadPdb ionic2.pdb
loadamberparams frcmod.bf4
loadamberparams frcmod.bmi
loadamberparams frcmod.acn
setbox ionic2 centers
saveAmberParm ionic2 ionic2.prmtop ionic2.inpcrd

