Dear colleagues I'd like to know if it is possible to calculate of a solute in a binary mixture, in order to obtain Maxwell-Stefan diffusion coefficient, using g_msd from Gromacs.
Can anyone tell something about that? Thanks Best regards Luís Martins
-- 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