package require psfgen resetpsf topology top_heme.inp if {1} { pdbalias residue HIS HSD pdbalias atom ILE CD1 CD segment A { pdb pro.pdb } coordpdb pro.pdb A } if {1} { segment B { first NONE last NONE auto angles dihedrals pdb heme.pdb } coordpdb heme.pdb B } guesscoord patch PHEM A:93 B:1154 writepsf hdeoxy.psf writepdb hdeoxy.pdb