Hi fellow GROMACS users, I have run a 100 ns simulation of a protein in an aqueous solution and I’d like to know if it were possible to calculate the average residence time of water molecules around the protein and/or a specific residue within a given cut-off?
Thanks in advance, Can Bora -- 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.
