--- On Mon, 6/2/12, Ignacio Fernández Galván <jel...@yahoo.com> wrote:
> 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? It seems that default group names are generated not from moleculetype names, but from residue names. At least that's what it says in http://www.gromacs.org/Documentation/Gromacs_Utilities/make_ndx: default index groups are already generated (entire system, 9 groups for proteins, and one for every other *residue name*). In my case, if I use GLC (residue) for energygrps instead of ACX (molecule), it works fine. -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
