Hi, Fenghui,
Thanks for your reply, I have tried Antechamber, however, as far as i know,
Antechamber is only suitable for small molecules, is it? And the protein I
want to study is pretty big with several thousands atoms excluding hydrogen.
I really appreciate it if anyone could tell me where can I find such
parameters.
Best regards,
Rachel
On 9/19/06, Fenghui Fan <fenghui_fan.yahoo.com> wrote:
>
> 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.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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Received on Wed Sep 20 2006 - 06:07:19 PDT
