From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Fri Nov 07 2003 - 10:12:22 CST
Hello Jan,
The infrastructure for such a repository already exists at Biocore-NAMD
public project. One can create a folder there that would hold your
information.
Moreover, the NAMD wiki pages might be suitable as well.
Brian
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
>
>
> Jan Saam
> Humboldt-Universität Berlin
> Medizinische Fakultät (Charité)
> Institute for Biochemisty
> Monbijoustr. 2
> 10117 Berlin
> Germany
> phone: +49 30 450 528 449
> mail: saam_at_charite.de
>
-- ***************************************************************** **Brian Bennion, Ph.D. ** **Computational and Systems Biology Division ** **Biology and Biotechnology Research Program ** **Lawrence Livermore National Laboratory ** **P.O. Box 808, L-448 bennion1_at_llnl.gov ** **7000 East Avenue phone: (925) 422-5722 ** **Livermore, CA 94550 fax: (925) 422-6605 ** *****************************************************************
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