source leaprc.ff94 set default PBradii mbondi2 mol=sequence{ACE ASH NME} saveamberparm mol asph_model.prmtop asph_model.inpcrd desc mol.2 set mol.2.OD2 charge -0.8014 set mol.2.OD1 charge -0.8014 set mol.2.CG charge 0.5307 set mol.2.HD2 charge 0.0000 saveamberparm mol asp_model.prmtop asp_model.inpcrd quit