On Apr 4, 2013 7:30 PM, "Tim Moore" <tcmoo...@gmail.com> wrote: > > Is there a way to run more than one simulation with a single .mdp file?
No, unless you happen to be able to abuse the simulated annealing protocol. Shell scripts are among your friends here. Mark > For > instance, if I want to do an equilibration run and then the actual > production run, do I have to make an input file for each run or can this be > done with a single file? > > Thanks. > > -- > Tim Moore > -- > 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 -- 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
