logFile leap.log source leaprc.ff99SB #Turn on 1-4 scaling reading and writing set default write14scale on # --------------------------- END OF STANDARD HEADER ---------------------- system = loadpdb originalt.pdb saveamberparm system start.prmtop start.crd savepdb system start.pdb solvatebox system TIP3PBOX 10 Addions system Na+ 0 Addions system Cl- 0 saveamberparm system startPBC.prmtop startPBC.crd savepdb system startPBC.pdb quit