Hi, It seems that the one directional diffusion constants can be obtained by means of g_msd ...blabla...-type z.
However, my question is that I don't want to obtain the diffusion constants. Actually, the MSD trajectory file for all 3 dimensional data can be obtained by conventional g_msd... Instead, I want to obtain MSD (time)trajectory file (.xvg file) that contain only one directional, say z, data. I want to analyze it and regress it by curve fitting from the MSD data. How can I do this ? with best regard -- 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
