--- On Mon, 6/2/12, Justin A. Lemkul <[email protected]> wrote: > Perhaps the OP can provide the original grompp command and > whether or not the -n flag was invoked. An incorrect > index file can also give this error, I believe, if it does > not contain the desired group.
I'm not using an index file. The grompp command line is simply: grompp -f dinamica.mdp -c equilibrar.gro -p topol-mod.top -o dinamica.tpr The .gro file does not contain any mention to "ACX", but I believe it's not needed, as long as it's in the .top, right? > >> energy_grps = > ACX > > This is an incorrect keyword that should have raised a fatal > error. The proper keyword is "energygrps." Perhaps both "energy_grps" and "energygrps" are valid? I tried with "energygrps" and I get the same error as with "energy_grps", and both work if I use "SOL" instead of "ACX". -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
