Re: [AMBER] Antechamber trouble with COA-acyl chain

From: David A Case <>
Date: Tue, 12 Jul 2011 12:32:03 -0400

On Tue, Jul 12, 2011, Erin Kelly wrote:
> I've been trying to produce a mol2 file from a pdb generated using ChemDraw
> because 'reduce' would not add hydrogens to an unrecognized part of my
> ligand. The ligand is a COA with a 10 carbon acyl chain.

Can you post the pdb file you gave to antechamber?


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Received on Tue Jul 12 2011 - 10:00:04 PDT
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