Dear Gromacs Users, Is it possible to run free energy calculations in parallel using mpirun? If not, what is the fastest way to run free energy calculations. I am trying to us the Bennet's Accepetance Ratio (g_bar) to get the free energy of solvation for an ionic liquid based on the tutorial by Justin Lemkul. I hav tried to decouple an ion pair as well as individual ions. In either case the simulations run locally but when I try to run them in parrallel I get the error:
Fatal error: There is no domain decomposition for 8 nodes that is compatible with the given box and a minimum cell size of 2.26125 nm Thank You Quintin Sheridan -- 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
