source leaprc.gaff 
loadamberprep ACT.prepc
mod1 = loadamberparams ACT.frcmod
mbox = copy ACT
## center mbox 
solvatebox mbox ACT { 20.0 20.0 20.0 } 
SetBOX mbox vdw 
saveamberparm mbox acetone.top acetone.crd
savePDB mbox actbox_leap.pdb
charge mbox
quit



