Does anyone know of a paper that uses OPLS-AA parameters to simulate carboxylate ions in water? I am trying to determine the appropriate Lennard-Jones parameters (for the carboxylate ion) to use.
Thanks, Blake Purdue University Department of Chemistry Ben-Amotz Research Lab -- View this message in context: http://gromacs.5086.x6.nabble.com/Carboxylate-OPLS-AA-parameters-tp5014043.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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 [email protected].
