[gmx-users] problem with nvt equilibration
anushritripathi at gmail.com
Mon Feb 6 10:28:43 CET 2012
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.
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