[gmx-users] Re:

[Anton Feenstra]

Jose Ramon Blas wrote:
> Have you already developed such a tool? I have a complicated molecule 
> built in AMBER and a collaborator of me has it built in GROMACS. His 
> topology gives many problems and we want to see what happens, since mine 
> runs OK with AMBER.
> 
> A program that just lists the parameters for one and the other file will 
> be very nice to employ. Or a "topology-conversor" even better. Anyway, I 
> would be very glad if we can share this tool with you.

What I wrote is a set of scripts that translate most of the forcefield
files from Amber to Gromacs. So, they don't translate the topologies.
There have been a few tools uploaded to the contributions section (check
the website to download, and the archives for descriptions) that should
be able to translate topologies (and coordinates).

P.S. I'd prefer if you would send this type of questions through the
Gromacs mail list.

-- 
Groetjes,

Anton
  ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
| |----  | De Boelelaan 1083 - 1081 HV Amsterdam - The Netherlands   |
| |----  | Tel: +31 20 44 47608 - Fax: +31 20 44 47610               |
| ' __   | Feenstra at chem.vu.nl - http://www.chem.vu.nl/afdelingen/FAR|
|  /  \  |-----------------------------------------------------------|
| (    ) | Dept. of Biophysical Chemistry - University of Groningen  |
|  \__/  | Nijenborgh 4 - 9747 AG Groningen - The Netherlands        |
|   __   | Tel +31 50 363 4327 - Fax +31 50 363 4800                 |
|  /  \  | K.A.Feenstra at chem.rug.nl - http://md.chem.rug.nl/~anton   |
| (    ) |-----------------------------------------------------------|
|  \__/  | "If You See Me Getting High, Knock Me Down"               |
|        | (Red Hot Chili Peppers)                                   |
|________|___________________________________________________________|