! build PSF for IL-1B with waters ! ! by JK Aug 94 ! topology @TOPPAR:protein.top @./cyc.top end parameter @TOPPAR:protein.par @./cyc.par end for $filename in ( "cyb_gaf_start" ) loop main evaluate ($filenamepdb = $filename+".pdb") evaluate ($filenamepsf = $filename+".psf") segment name=" " chain @TOPPAR:toph11.pep coor @$filenamepdb end end delete sele (name HT*) end delete sele (name OT*) end write struct output = $filenamepsf end end loop main stop