Dear All, I want to evaluate the preferential interaction coefficient and according to the equation given in the literature, I want the number of water and cosolute molecules (nw, nx) for local and bulk regions specified by a particular cut-off distance from the protein.
There are two options that I have; using g_select or g_trjorder. Which of the two is more suitable for calculation of the preferential interaction coefficient? Yours sincerely, Apramita -- 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.
