On Mon, Apr 15, 2013 at 3:01 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 4/15/13 9:59 AM, Steven Neumann wrote: >> >> Dear Gmx Users, >> >> I want to calculate a distance matrix of each amino acid (1, 2, ...25) >> averaged over simulation time with all amino acids. So matrix of >> 25x25: >> >> 1) is there a tool which can do this or just the use of g_dist fof 600 >> (25x25 - 25) times? >> 2) Would you recommend any nice visualisation tool (bioinformatic >> software) to obtain colorful matrix? >> > > g_mdmat does all of this. > > -Justin >
Thank you. As far as I see it does minimum dostance matrix and I wish to have all distances averaged over the simulation time. Any advices? Steven > -- > ======================================== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > 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 -- 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