Re: Parameter/topology repository

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                 **
*****************************************************************

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:17:54 CST