Dear GROMACS Experts, I am using GROMACS to simulate the self-diffusion coefficient of a wide range of pure systems (e.g. alkanes).
Unfortunately the information given in the manual regarding g_msd and its exact calculation in GROMACS is insufficient for me. Does somebody got some idea of papers/additional information/books for this topic? I am especially interested in the calculation of the error bar. Thank you! -- View this message in context: http://gromacs.5086.n6.nabble.com/g-msd-additional-information-tp5003684.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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
