[gmx-users] NMA for a group

[Christian Seifert]

Hi.

Perhaps, I made a mistake in describing my problem. I can not believe, that no 
one ever tried this before.

I have a phosphate in water and want to calculate the hessian just for the 
phosphate. How do I do that?

Regards,

Christian

On Tuesday 19 June 2007 14:39, Christian Seifert wrote:
> Hi.
>
> I want to make a NMA just for one Group of molecules, because a QMMM-NMA
> takes too long for the whole system. Of cause, the EM in the step before
> has been done for the whole system. The manual does not tell how to do
> this. Did someone tried this before?
>
> Thanks
>
> Christian.

-- 
B.Sc. Christian Seifert
Department of Biophysics
University of Bochum
ND 04/67
44780 Bochum
Germany
Tel: +49 (0)234 32 28363
Fax: +49 (0)234 32 14626
E-Mail: cseifert at bph.rub.de
Web: http://www.bph.rub.de