[gmx-users] problem with nvt equilibration

Mark Abraham Mark.Abraham at anu.edu.au
Mon Feb 6 12:28:03 CET 2012

On 6/02/2012 8:28 PM, Anushree Tripathi wrote:
> Inspite of having DPPC in index file,when I run the command ( i.e., 
> grompp -f nvt.mdp -c em.gro -p topol.top -o nvt.tpr ),I am getting the 
> 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.
> Now, what to do? Please guide me.

You seem not to have used the -n option. You could try using it. :)


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