In your .mdp file ...in cut-off you mention PME... On Sun, Sep 23, 2018, 9:42 PM AKANXA TIWARI <akanxatiwar...@gmail.com> wrote:
> Hi > During simulation of protein after giving grompp ions command i got a note > what should i do. > NOTE 3 [file ions2.mdp]: > You are using a plain Coulomb cut-off, which might produce artifacts. > You might want to consider using PME electrostatics. > -- > 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.
