Hi, mdrun uses -tunepme by default, which does this. You can learn more about the theory behind the implementation in the PDF reference manual. There is also gmx tune_pme to scan a larger range of parameters than mdrun can.
Mark On Fri, Sep 25, 2015 at 4:12 AM Vy Phan <phanvy120...@gmail.com> wrote: > Dear All gromacs Users, > > Could you please tell me the way to optimize the cut-off distance and > fourierspacing on Gromacs 5.0.4 ? > > Thank you so much > Phan Vy > -- > 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.