On Wed, Nov 28, 2007, Denis Courtier wrote:
>
> > napro=loadpdb napro.pdb
>
>
> Loading PDB file: ./napro.pdb
> Warning: name change in pdb file residue 1 ;
> this residue is split into ACE and PRO.
> 1 residues had naming warnings.
> There are split residues;
> residue sequence numbers will not correspond to those in the pdb.
> Created a new atom named: C10 within residue: .R<ACE 1>
> Created a new atom named: C11 within residue: .R<ACE 1>
etc.
The atom names in your pdb file must match those in the library.
Since it appears you are new to Amber, I would strongly recommend that you
gain experience with non-polarizable simulations before trying polarizable
ones.
...dac
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Received on Sun Dec 02 2007 - 06:07:10 PST
