Dear groamcs users
I want to calculate binding delta G. I know g_lie tool is used to calculate delta G for protein-ligand or enzyme-drug binding. Can I use g_lie tool o calculate delta G for binding some ions to one protein molecule? Generally, which toolS of gromacs are appropriate for delta G, delta S and delta H for binding some ions to one protein molecule? Any help will highly appreciated -- 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.
