AMBER Archive (2006)

Subject: Re: AMBER: parameters for Nickel and iron

From: Fenghui Fan (fenghui_fan_at_yahoo.com)
Date: Mon Sep 18 2006 - 21:45:24 CDT

I just want to discuss with you. Can you use
Antechamber for this purpose? It is rather easy.

I am looking forward to getting your reply on these
especially to me.

Best regards.

Fenghui Fan

--- Rachel <comeonsos_at_googlemail.com> wrote:

> Dear all AMBER users,
>
> The protein I wish to study contains nickel atom
> bonded with iron and CYS
> residues (by S), while the iron atom is bonded with
> CYS (by S) and HIS (by
> ND). I am trying to create the frcmod file for these
> non-standard metallic
> ions and its bonded residues, can anyone tell me
> where can i find the
> parameters for Fe and Ni please? Thanks a lot in
> advance!!
>
> With my best regards,
> Rachel
>

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