Re: [AMBER] parametrization of acetyl-coa using antechamber

From: David Case <>
Date: Sat, 12 Feb 2011 17:19:49 -0500

On Feb 12, 2011, at 1:29 PM, Knut Jørgen Bjuland <> wrote:

> Hi have installed just Ambertools 1.4 and I am working on paramerization
> of acetyl-Coa from 3PW8.

Make sure the input file to antechamber has all hydrogen atoms present. Most ligands from the pdb are missing these. Many programs can add them, including reduce or sleap (look for the "hbuild" command.)

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Received on Sat Feb 12 2011 - 14:30:03 PST
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