Re: [AMBER] Antechamber question: all my residue carbons are the same 'c3' atom type.

From: case <>
Date: Fri, 12 Mar 2010 07:47:28 -0500

On Thu, Mar 11, 2010, Denny Bromley wrote:
> My amino acid PDB files were from the Avogadro fragment library and exported
> via Avogadro into the PDB format.

It would help if you could post one of the input pdb files. You could
look at the test case in $AMBERHOME/test/antechamber/ash, where an aspartic
acid molecule is handled, and not all carbon atoms are c3. Try to figure out
what is different from your input and that one. A similar example is in
the ../guanine_amber directory. [I'm assuming all the test cases pass, or you
would have said something.]


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Received on Fri Mar 12 2010 - 05:00:02 PST
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