We have developed some force field parameters for PTM residues. You may
find the parameters from
https://mulan.swmed.edu/ptmff/login.php (not need
to sign up, just login as a guest). Maybe those parameters are not totally
compatible to FF14SB, but they are compatible to FF99SB and FF12SB.
Good luck!
Junmei
On Thu, Feb 8, 2018 at 10:55 AM, Shahryar Alavi <shahriyar.alavi.gmail.com>
wrote:
> Dear Amber users,
>
> I want to simulate histone complexes to study effects of their
> modifications, including methylation, double acetylation, and triple
> methylation. But I couldn’t find if there is any ff14SB consistent
> forcefield for modified residues, such as diacetylated amino acids.
> I would appreciate your useful comments.
>
> Ragards,
> Shahryar
>
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Received on Thu Feb 08 2018 - 08:30:05 PST
