Anushree Tripathi wrote:
where should I use -n option in the command (i.e., grompp -f nvt.mdp -c
em.gro -p topol.top -o nvt.tpr).Please tell me.
I would suggest you refer to grompp -h and/or go through some basic tutorial
material so that you can get a feel for command line options and how to apply them.
-Justin
On Mon, Feb 6, 2012 at 4:58 PM, Mark Abraham <mark.abra...@anu.edu.au
<mailto:mark.abra...@anu.edu.au>> wrote:
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. :)
Mark
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
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