You'd better first your .top file, to see if you have included DPPC .itp file
and also in the compound section. if it was ok, check the .ndx and look for the
atom numbers of DPPC, after finding the atom numbers, make a group ( Like othe
parts of .ndx; water, or protein,...) and name it DPPC. save and continue. Hope
it help
Sogol
________________________________
From: Anushree Tripathi <anushritripa...@gmail.com>
To: Discussion list for GROMACS users <gmx-users@gromacs.org>
Sent: Tuesday, January 31, 2012 9:44 AM
Subject: [gmx-users] problem with volume equilibration
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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