Re: AMBER: Problems simulating a protein-ligand complex

From: David A. Case <case.scripps.edu>
Date: Fri, 6 Jun 2008 11:59:52 -0700

On Fri, Jun 06, 2008, Sasha Buzko wrote:
>
> The structure has correct connectivity and came directly from a PDB
> file. Since the ligand PDB file is not that large, I'm pasting it below.
> Thank you for any suggestions.

You don't have any hydrogen atoms in your input structure. Antechamber
doesn't know how to add hydrogens...you need to draw them in by hand, or
use some other model building program to add all of the hydrogens.

...hope this helps...dac

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Received on Sun Jun 08 2008 - 06:08:02 PDT
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