Re: phosphohistidine parameters ???

From: L. Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Thu Feb 21 2008 - 13:45:27 CST

Hi Typaco,

I haven't seen CHARMM parameters for that phosphorylated aminoacid.
However, there is a paper reporting parameters for phosphohistidine
using the GROMOS96 ff (Efremov et al., J. Comput. Chem., 2004, 25,
1313). Perhaps it'll be a good idea to post your question in the
CHARMM development webpage (www.charmm.org); there is usually have a
bunch of people discussing topology/parameters development and someone
might already have what you need.

Cheers,
Michel

On Thu, Feb 21, 2008 at 12:33 PM, paco ty <typaco_at_inbox.com> wrote:
> Hi list,
> does anybody have or developed phospho-histidine parameters
> for namd simulations?
> I would appreciate any recommendations.
>
> Regards
>
> Typaco
>
>
>

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