Dear Gromacs users! I am in charge with the analysis of protein-protein assosiation during several independent md sims calculated for the same system. I would like interesting to calculate 1* contact maps to get insight about residues important for the assosiation
2* electrostatic surface- as the dynamical property of the receptor system - to understand whether any differences in it - seen on different trajectories which helps me make conclusions regarding importance of the electrostatic forces in my system in general. Thanks so much for any help with the realization of those steps as well as for any extra advises! James -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
