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
<
http://ambermd.org/tutorials/basic/tutorial5/index.htm> 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
