Hi Is it possible to use the GROMACS methods g_msd or g_velacc to calculate parameters (i.e the diffusion coefficient) when the parameter value varies with position (eg. diffusion of a nanoparticle through a lipid bilayer)? If so, how?
If not, are there any other GROMACS methods that can be used to obtain this position-dependent diffusion coefficient from a trajectory file? Thanks a lot! Sincerely Bharath -- 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
