Thanks Jochen and David, Can I have access to the itp file associated with O2 parameters used in one of these papers? i'm not sure how to work around the dummy atom, and partial charges.
On Thu, May 9, 2019 at 5:42 PM Shadi Fuladi <sful...@uic.edu> wrote: Hi, > I'm trying to test molecular oxygen diffusion in electrolytes using OPLS > force field. Is there any O2 parameters tested with OPLS AA forcefield? > > Thanks, > SF > > > -- 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.
