Dear GMX users, I am simulating metal ions in water by using user tabulated potentials to reproduce a customized force field pretty different from the standard 12-6-1. Is it possible to compute the free energy of hydration with BAR method by using potentials in this form?
Thanks in advance Gianluca -- 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.
