[gmx-users] error during nvt equilibration
shine.a at iisertvm.ac.in
Thu Nov 29 06:40:26 CET 2012
I am studying the dynamics of membrane proteins using KALP-15 in DPPC.
Now doing nvt equilibration and created index.ndx by using make_ndx. During
this step I selected "16/14" and "1/13".The next step (grompp -f nvt.mdp -c
em.gro -p topol.top -n index.ndx -o nvt.tpr) getting error like this
Group SOL_CL 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.
why this error? Can you give a solution to overcome it?
More information about the gromacs.org_gmx-users