On Thu, Nov 10, 2011, Urszula Uciechowska wrote:
> Loading PDB file: ./pep3.pdb
> Enter zPdbReadScan from call depth 0.
> -- residue 5: duplicate [ O] atoms (total 2)
> Warning: Atom names in each residue should be unique.
Well, as amber error messages go, this one is pretty self-explanatory. The
message says that residue 5 has two atoms named "O", and that is indeed the
case. You will have to give the oxygen on the side chain some other atom
name--atom names within a residue must be unique.
...good luck....dac
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Received on Thu Nov 10 2011 - 06:30:03 PST
