Re: [AMBER] three letter code for unprotonated carboxyglutamates

From: Pietro Aronica <>
Date: Tue, 7 May 2019 17:52:12 +0800

There are no parameters for gamma carboxylated glutamate in the standard
FF14SB force field. You need to parameterise it and add it as a lib file.

Follow this tutorial
<> to add modified
amino acid residues.

On 7/5/19 5:45 PM, Tanusree S wrote:
> Hi,
> I have many gamma carboxylated glutamates in my protein. What would be the
> code for those CGUs in the input PDB file, if I do not want those to be
> protonated after doing the energy minimisation?
> Thanks
> Tanusree
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Received on Tue May 07 2019 - 03:00:03 PDT
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