[gmx-users] GROMACS Wiki

[Moore, Jonathan (J)]

The email list, manual, etc. are good source material...but I think there will be added value in the wiki, even for answering specific questions.  For example, for questions about complex topics like free energy, integration algorithms, parallel scaling, etc., it is rare that any single email message contains a complete answer (and it can be tedious trying to find all of the info and you're never sure that you didn't miss something important in that one email that you somehow overlooked).  If nothing else, I think it would be very helpful for the wiki to include an executive summary/bottom line answer about common questions as well as providing links to relevant mailing list threads, manual sections, etc. (as well as additional discussion).  The email list contains a ton of info, but it is scattered, disorganized, etc.  The manual has lots of info, but can't answer every question.  The wiki can be a common starting point with additional discussion as well as links to the rele
 vant info in the manual, mailing list, journals, etc.


Thanks,
Jonathan

____________________________
Jonathan Moore, Ph.D.
Research and Engineering Sciences - New Products
Core R&D
The Dow Chemical Company
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-----Original Message-----
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of David Mobley
Sent: Wednesday, May 02, 2007 10:34 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] GROMACS Wiki

Erik and all,

I think this is a great idea. I've been working on (and plans to work
more on) a bit of a free energy wiki/tutorial page beyond what's
already available; depending on how this develops I can
transfer/combine with what's already on the wiki.

As you probably know there are lots of things I regularly explain on
the wiki relating to free energy calculations. I also get lots of
e-mails off-list. It would be good to have a central place where all
this is explained.

David

On 5/2/07, Erik Lindahl <lindahl at cbr.su.se> wrote:
> Hi,
>
> On May 2, 2007, at 10:01 AM, David van der Spoel wrote:
>
>
> >
> > In all these things the format is less of an issue than the
> > content. The current website runs on Joomla and selected registered
> > users can edit parts of it.
> >
> > Just read Erik's answer (that happens when you run away in the
> > middle of writing an email).
> >
> > Bottom line then is that we'll start something...
>
> I think the key difference should be that the Wiki is not meant for
> answering specific questions, but rather expanding discussions on
> complex topics (for instance free energy, how temperature coupling
> should/shouldn't be done, etc.)
>
> Cheers,
>
> Erik
>
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