Re: [AMBER] problem with 3-ring system in antechamber

From: David A Case <case.biomaps.rutgers.edu>
Date: Fri, 8 Feb 2013 11:41:19 -0500

On Fri, Feb 08, 2013, Leandro Bortot wrote:

> Error: weird atomic valence (5) for atom (ID: 11, Name: C3), please check
> atomic connectivity

Have you tried using a pdb format file as input to antechamber, which doesn't
have any input bond orders (or bonds at all)?

If that doesn't help, can you post the pdb file so that we can try to debug
what is going on?

...thx...dac


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Received on Fri Feb 08 2013 - 09:00:03 PST
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