[gmx-users] error group protein not found

[Victor Rosas Garcia]

Hello,

In your command line you do not specify an index file. Maybe you need to
generate one.  Check out usage of make_ndx.

Hope this helps

Victor

2015-06-03 13:41 GMT-05:00 marzieh dehghan <dehghanmarzieh at gmail.com>:

> Hi every body
>
> I create a covalent bond and now I want to held MD by gromacs,
>
> after holding the following command : grompp -f nvt.mdp -c em.gro -p
> topol.top -o nvt.tpr
>
> I confornted to an error:
>
> Fatal error:
> Group Protein not found in index file.
> Group names must match either [moleculetype] names
> or custom index group names,in which case you
> must supply an index file to the '-n' option of grompp.
>
>
> please let me know how can I solve this problem.
>
> I am looking forward to getting your answer
>
> thanks a lot
>
>
> --
>
>
>
>
> *Marzieh DehghanPhD Candidate of BiochemistryInstitute of biochemistry and
> Biophysics (IBB)University of Tehran, Tehran- Iran.*
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