Dear gmx-users, I would like to select, for each residue of a model, the residues that are within 3.6 A in average over a simulation. g_mdmat must create this information at some point while generating the contact diagrams, but I would like to extract the real values before they are discretized. I haven't found out how to do this. If sb has any idea or suggestion, it might be very useful.
Thanks in advance, Cheers, - Isaure Chauvot de Beauchene -- View this message in context: http://gromacs.5086.n6.nabble.com/exact-average-distances-with-g-mdmat-tp5004009.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
