Hi. I'm new to simulation and haven't tried that. Below is what I heard. Most of the time, the force field just treat K+ and Na+ as a sphere with charge and with no orbitals. So, K+ and Na+ ions in simulations are only different in radius (of the sphere).
I guess it is ok to use K+ instead of Na+. What forcefield did you use? On Sun, Sep 13, 2015 at 3:10 AM, Andrew Bostick <andrew.bosti...@gmail.com> wrote: > Dear gromacs users, > > For neutralizing the simulation system, can I use K+ ions instead of NA+? > > Best, > Andrew > -- > 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. > -- 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.