Re: [AMBER] zinc parameters

From: Gustavo Seabra <gustavo.seabra.gmail.com>
Date: Tue, 12 Jul 2011 15:42:32 -0300

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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jul 12 2011 - 12:00:02 PDT
Custom Search