source leaprc.ff99SB source leaprc.gaff loadAmberPrep "tony_myr.prep" loadAmberPrep "tony_plm.prep" complex = loadpdb myr_prot.pdb setbox complex vdw check complex savepdb complex myr_prot_check.pdb saveamberparm complex myr_prot.prm myr_prot.rst ligand = loadpdb myr.pdb setbox ligand vdw check ligand savepdb ligand myr_check.pdb saveamberparm ligand myr.prm myr.rst complex = loadpdb plm_prot.pdb setbox complex vdw check complex savepdb complex plm_prot_check.pdb saveamberparm complex plm_prot.prm plm_prot.rst ligand = loadpdb plm.pdb setbox ligand vdw check ligand savepdb ligand plm_check.pdb saveamberparm ligand plm.prm plm.rst