[gmx-users] Examples

Tsjerk Wassenaar tsjerkw at gmail.com
Sun Sep 16 10:45:29 CEST 2007


Hi,

I Believe that the initial question concerned the QM/MM stuff in
Gromacs, right? The link on the tutorial page of the gromacs site
refers to a page in groningen, which is not current anymore. I think
that the tutorial it meant to refer to is now here:

http://www.mpibpc.mpg.de/groups/grubmueller/start/people/ggroenh/EMBO2004/html/tutorial.html

Concerning the discussion in general, I think Sagittarius' question
was more or less legitimate (given the dead link on the tutorial
page), but it's true that it would have been better to 1. be more
specific in regards the nature of the question (QM/MM) and 2. mention
that the link to the QM/MM tutorial was dead...

Anyway, hope this helps..,

Tsjerk

On 9/15/07, Sagittarius <deckuofm at yahoo.com> wrote:
> It is more disturbing for you with specific questions.
> If I have examples it would be much easier for everyone.
>
> David van der Spoel <spoel at xray.bmc.uu.se> wrote:
> Sagittarius wrote:
> > Already started and there are no examples there
> >
> If you want specific help, ask a specific question. Otherwise going
> through the tutorials is very useful, and you need to read the first few
> chapters of the manual as well (chapter 2: units).
>
> --
> David van der Spoel, Ph.D.
> Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
> spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623



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