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
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