Re: [AMBER] zinc parameters

From: Oliver Kuhn <oak.amber.googlemail.com>
Date: Tue, 12 Jul 2011 21:08:48 +0200

Hi Gustavo,
the link does not work for me.
Can you send us the papers title?

Regards,
Oliver

2011/7/12 Gustavo Seabra <gustavo.seabra.gmail.com>

> Hi, take a look at this article:
>
> http://dx.doi.org/10.1021/ct900454q
>
> If you are lucky, you may find your system here.
>
> Good luck,
> Gustavo.
> --
> Sent from my iPad.
>
> On 12/07/2011, at 14:00, Sel Ercan <slmrcn.ymail.com> wrote:
>
> > hi all!
> > I have a protein which two CYS and two HIS coordinated with zinc. I need
> angle and torsion parameters.
> > Angle parameters:
> > Could not find angle parameter: CV - NB - ZNA
> > Could not find angle parameter: NB - ZNA - NB
> > Could not find angle parameter: CC - NB - ZNA
> >
> >
> > torsion parameters:
> > ** No torsion terms for CV-NB-ZNA-NB
> > ** No torsion terms for CV-NB-ZNA-SH
> > ** No torsion terms for CV-NB-ZNA-SH
> > ** No torsion terms for NB-ZNA-NB-CR
> > ** No torsion terms for NB-ZNA-NB-CC
> > ** No torsion terms for NB-ZNA-SH-CT
> > ** No torsion terms for NB-ZNA-SH-CT
> > ** No torsion terms for CR-NB-ZNA-NB
> > ** No torsion terms for CR-NB-ZNA-SH
> > ** No torsion terms for CR-NB-ZNA-SH
> > ** No torsion terms for CR-NB-ZNA-SH
> > ** No torsion terms for CR-NB-ZNA-SH
> > ** No torsion terms for NB-ZNA-SH-CT
> > ** No torsion terms for NB-ZNA-SH-CT
> > ** No torsion terms for CC-NB-ZNA-SH
> > ** No torsion terms for CC-NB-ZNA-SH
> > ** No torsion terms for SH-ZNA-SH-CT
> > ** No torsion terms for CT-SH-ZNA-SH
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
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>



-- 
Oliver Kuhn, Department of Bioinformatics,
Center for Medical Biotechnology, University of Duisburg-Essen,
Universitätsstr. 1-5, 45141 Essen, Germany
phone +49 201 183-3121, oliver.kuhn.uni-due.de
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Received on Tue Jul 12 2011 - 12:30:03 PDT
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