[gmx-users] Program to convert GROMO96 topologies to GROMACS 3.0.x

[Daan van Aalten]

Hi Claudio

Have you tried using the PRODRG server to generate topologies for your
"strange" groups?
http://davapc1.bioch.dundee.ac.uk/programs/prodrg/prodrg.html

cheers
Daan

On Wed, 28 Nov 2001, [iso-8859-1] Cláudio Soares wrote:

> Dear GROMACS users and developers,
> 
> 	I wonder if anybody has written a program to convert GROMOS96 molecular
> topology files into GROMACS topology files? We study redox proteins with
> strange groups and have built programs to make patches on GROMOS96
> topologies. Since these things are quite boring to rebuild (for GROMACS
> topology files), I was hoping to be able to convert them and use GROMACS
> for the simulations.
> 
> 	Thanks,
> 
> 	Claudio
> 
> --------------------------------------------------------------------
> Claudio M. Soares                  |
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##############################################################################
 
Dr. Daan van Aalten                    Wellcome Trust RCD Fellow 
Wellcome Trust Biocentre, Dow Street   TEL: ++ 44 1382 344979 
Div. of Biol.Chem. & Mol.Microbiology  FAX: ++ 44 1382 345764 
School of Life Sciences                E-mail: dava at davapc1.bioch.dundee.ac.uk
Univ. of Dundee, Dundee DD1 5EH, UK    WWW: http://davapc1.bioch.dundee.ac.uk 

        O     C           O     C         Visit the PRODRG server to take 
        "     |           "     |         the stress out of your topologies!
  N--c--C--N--C--C--N--C--C--N--C--C--O   
     |           "     |           "      http://davapc1.bioch.dundee.ac.uk/
     C-C-O       O   C-C-C         O             programs/prodrg/prodrg.html
       "         
       O