From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Fri Nov 07 2003 - 11:05:11 CST
This sounds like a good idea to me. I'd like start with a lightweight
solution and seeing how things evolve by using the NAMD Wiki at
http://www.ks.uiuc.edu/Research/namd/wiki/ to create these pages, either
posting the entries directly or linking them from your own web server.
There isn't a security model, but all revisions are logged and appear on
the RecentChanges page. Sending these entries to NAMD-L would result in
them being permanently archived as well.
On Fri, 7 Nov 2003, Jan Saam wrote:
> Dear fellow NAMDers,
> I would like to propose a repository for parameter and topology files of
> non standard components. I think this would be very helpful to many MD
> people as determining your own top/par set for your molecule can be very
> tedious and nobody likes to reinvent the wheel.
> My suggestion is that the NAMD developers would maintain a little
> database into which we could post our files that also contains entries
> concerning the method how one gained the parameters (combination of
> existing params, QM simulations, etc.) and the publication that you
> would like to be cited in case somebody uses your parameters.
> I would post three or four molecules.
> What do others think about it?
> Jan Saam
> Humboldt-Universität Berlin
> Medizinische Fakultät (Charité)
> Institute for Biochemisty
> Monbijoustr. 2
> 10117 Berlin
> phone: +49 30 450 528 449
> mail: saam_at_charite.de
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