On Tue, Nov 08, 2011, Urszula Uciechowska wrote:
> I have changed the atom names and residue but still getting errors:
>
>
> Loading PDB file: ./pep3_at.pdb
> -- residue 5: duplicate [ H] atoms (total 2)
> -- residue 5: duplicate [ O] atoms (total 2)
>
> Warning: Atom names in each residue should be unique.
> (Same-name atoms are handled by using the first
> occurrence and by ignoring the rest.
> Frequently duplicate atom names stem from alternate
> conformations in the PDB file.)
Please don't ignore the messages above either: within a given residue in the
input pdb file, the atom names must be unique. You will probably have to
edit the pep3_at.pdb file to ensure this.
....dac
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Received on Wed Nov 09 2011 - 07:30:03 PST
