Re: [AMBER] On Cationic Dummy Atom

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 30 Sep 2011 01:12:19 -0400

Try looking through some of the Amber tutorials on
http://ambermd.org/tutorials/ to see if any may help you.

Good luck,
Jason

On Thu, Sep 29, 2011 at 5:26 AM, francesco oteri
<francesco.oteri.gmail.com>wrote:

> Hi Kirtana,
> I dont know how parametrize new residues so I cannot help you. I will
> forwar(d your mail on the AMBER mainling list
>
> Francesco
>
> 2011/9/29 kirtana S <skirtana4.gmail.com>
>
> > I read your email on AMBER list on Zinc parameters. I am very new to
> > generating non standard residue parametrization . I am using gold-sulphur
> > ligated structures and also cobalt nanoparticles, I was wondering what
> can I
> > use to derive parameters for some non standard residues.I can get
> parameters
> > for angles and bond lengths from literature while I get stuck up on
> > calculation of dihedral phase angles .
> > Can you suggest how should I go about this.
> >
> > Thanks
> > Kirtana
> >
> >
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>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Sep 29 2011 - 22:30:04 PDT
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