[gmx-users] problem with volume equilibration

Anushree Tripathi anushritripathi at gmail.com
Tue Jan 31 07:14:51 CET 2012

When I run the command (i.e., grompp -f nvt.mdp -c em.gro -p topol.top -n
index.ndx -o nvt.tpr)for volume equilibration.

I am getting the error:
Fatal error:
Group DPPC not found in indexfile.
Maybe you have non-default goups in your mdp file, while not using the '-n'
option of grompp.
In that case use the '-n' option.

Please guide me.
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