AMBER Archive (2001)

Subject: Re: Residue wise RMSD using carnal

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Sun May 13 2001 - 12:28:05 CDT

        DECLARE
          GROUP grp1 ( (ATOM NAME N CA C O) & (SOLUTE) );
          RMS fit1 FIT grp1 s1 ref_set;
        OUTPUT
          TABLE tbl fit1%residues ;
        
> TABLE tbl fit1%residues ;
         residue 1 is only partially covered

For %residues your GROUP statement needs to define
all atoms in each residue. So just using SOLUTE
should work. In retrospect, it would have been a
good idea to allow per-partial-residue RMS.
        
Bill Ross