[gmx-users] Membrane protein tutorial

Mark Abraham Mark.Abraham at anu.edu.au
Thu Apr 9 06:44:43 CEST 2009


Pawan Kumar wrote:
> Hello sir,
> 
> Thanks for such a explanatory tutorial.
> I am stuck with one error now.
> I have protein, popc, sol and cl- in my system.
> I have merged the sol and cl- using make_ndx.
> But when I run grompp I get the error like this "popc not defined in the 
> index file".
> The grompp command : grompp -f pr.mdp -c box_em.pdb -p topol.top -o 
> box_pr.tpr

As I said last time, you'll need to give grompp the index file so that 
it can make sense of your use of the new group(s) name(s).

Mark



More information about the gromacs.org_gmx-users mailing list