AMBER Archive (2004)

Subject: Re: AMBER: Phosphoserine parameters

From: Joseph Nachman (nachman_at_hera.med.utoronto.ca)
Date: Wed Sep 29 2004 - 10:50:24 CDT

Hello -

I'm sending you my frcmod file for phosphotyrosine - maybe you can
contruct the phosphoserine by analogy.

The OH of the serine should become an OS in the phosphorylated form.

Hop[e this helps,

Joseph

On Tue, 28 Sep 2004, Venkata S Koppuravuri wrote:

>
> Hi all,
> We are constructing prep and frcmod files for phosphoserine ( singly
> negative and doubly negative phosphate) and we are having problems finding
> the following parameters (in both charge states)
>
> 1. The charges on the oxygen atoms as well as on the phosphorous
>
> 2. The harmonic force constant for the bond P-O
>
> 3. The harmonic force constant for the angles
> O-P-O
> O-P-O2
> OH-P-O
> CT-OH-P
>
> Can anybody provide us with the parameters or direct us to the pertenent
> reference.
>
> Thanks
> -Venkat
>
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Joseph Nachman				Department of Biochemistry
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