I guess I will do mdrun -rerun 400 times then. Thanks, Yun
On Thu, Feb 7, 2013 at 9:06 PM, Bogdan Costescu <[email protected]> wrote: > On Thu, Feb 7, 2013 at 8:13 PM, Yun Shi <[email protected]> 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 [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 -- 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
