On Thu, Feb 7, 2013 at 8:13 PM, Yun Shi <yunsh...@gmail.com> wrote: > So instead of making an index file with 399 groups of each residue in > A and typing in rerun.mdp file 400 group names as > "energygrps = A1 A2 A3 A4 ... A399 B", and issuing g_energy command 399 times,
There can be maximum 256 groups defined at once (Chapter 3.3 in manual), so you can't do this anyway... Cheers, Bogdan -- 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
