Re: Zinc-NAMD parameters

From: L. Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Mon Aug 04 2008 - 15:05:45 CDT

Dear Jose,

In the future please check the topology file for existing
molecules/ions. In this specific case, you need to simply rename the
"residue" as ZN2 before running psfgen. You can leave the atom type as
ZN. This should solve the problem.

Cheers,
Michel

On Mon, Aug 4, 2008 at 9:14 PM, jose correa <corrjose_at_gmail.com> wrote:
> Dear all
> I want to minimizate a protein which has Zinc as cofactar, Does some body
> any advise?, when I summit this protein to *.pgn I see this error:
>
> unknown residue type ZN
> ERROR: failed on end of segment
> MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.
>
> MOLECULE MISSING! Use resetpsf to start over.
>
>
>
> Bes wishes
> Jose Correa Basurto
>
>

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