Ah, thanks!<br><br><div><span class="gmail_quote">On 12/21/05, <b class="gmail_sendername"><a href="mailto:paloureiro@biof.ufrj.br">paloureiro@biof.ufrj.br</a></b> <<a href="mailto:paloureiro@biof.ufrj.br">paloureiro@biof.ufrj.br
</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><br>> I've get the following error using grompp<br>><br>> Fatal error: Group Protein_A not found in indexfile.
<br>> Maybe you have non-default goups in your mdp file, while not using the '-n'<br>> option of grompp<br>><br>> ********<br>> I'm not quite sure what index file it is trying to use, or why is there any<br>
> problem...<br><br>It is using the file index.ndx. Probably it has only standard groups (protein,<br>c-alpha, SOL etc.)<br>You have to run:<br><br>make_ndx -f your_protein.gro -o your_protein_index.ndx<br><br>Inside it, you have to create Protein_A and Protein_B groups.
<br><br>Then you run grompp using also the -n your_protein_index.ndx option.<br><br>Regards.<br><br>Pedro.<br><br><br>_______________________________________________<br>gmx-users mailing list<br><a href="mailto:gmx-users@gromacs.org">
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