Dear GROMACS developers,
In GMX 4.6 or up, 'mdrun' can automatically adjust direct and reciprocal part of PME calculation to boost up speed. But how does it actually implemented in the code? I tried to manually set PME cutoff and fourierspacing but get different result. Can someone explain how does PME auto-tuning work in the code? Thanks Best Jiaqi -- 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.
