On 31/01/2012 5:14 PM, Anushree Tripathi wrote:
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.
Exactly like it says, you are using a group (DPPC) in your .mdp file
that is not defined in the default groups. Either define it or stop
using it.
Mark
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