source leaprc.ff03 source leaprc.gaff pore = loadpdb "pore_deprotonated.pdb" stx = loadmol2 stxagain.mol2 complex = createunit complex complex = combine { pore stx } savepdb complex "c3.pdb" savepdb stx "stxmin.pdb" savepdb pore "pore.pdb" saveamberparm stx stx.prmtop stx.inpcrd saveamberparm pore pore.prmtop pore.inpcrd saveamberparm complex pore_stx.prmtop pore_stx_inpcrd quit