Dear users, I want to calculate linear interaction energy for my protein-ligand complex using g_lie module in Gromacs. I have ran two different simulations of ligand, one with protein and other with water. But I am getting same values for GBind while using g_lie for both simulations.
Can anyone help me about the exact usage protocol of g_lie? Thanks -- 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.
