hotafin at gmail.com
Wed Dec 21 20:42:02 CET 2005
On 12/21/05, paloureiro at biof.ufrj.br <paloureiro at biof.ufrj.br> wrote:
> > I've get the following error using grompp
> > Fatal error: Group Protein_A not found in indexfile.
> > Maybe you have non-default goups in your mdp file, while not using the
> > option of grompp
> > ********
> > I'm not quite sure what index file it is trying to use, or why is there
> > problem...
> It is using the file index.ndx. Probably it has only standard groups
> c-alpha, SOL etc.)
> You have to run:
> make_ndx -f your_protein.gro -o your_protein_index.ndx
> Inside it, you have to create Protein_A and Protein_B groups.
> Then you run grompp using also the -n your_protein_index.ndx option.
> gmx-users mailing list
> gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users