Indeed, sorry that I didn't notice that, Mark. Looks as if the two-body bonded interaction gets multiplied by 1.1/0.8 so I suppose that this is working as it should.
It's a shame that long distance restraints limit the parallalization so much, but it is understandable. Thanks for helping me with this. Chris. -- original message -- Initializing Domain Decomposition on 8 nodes Dynamic load balancing: auto Will sort the charge groups at every domain (re)decomposition Initial maximum inter charge-group distances: two-body bonded interactions: 2.636 nm, Dis. Rest., atoms 1701 4425 multi-body bonded interactions: 0.479 nm, CMAP Dih., atoms 1062 1081 Minimum cell size due to bonded interactions: 2.899 nm Maximum distance for 7 constraints, at 120 deg. angles, all-trans: 1.172 nm Estimated maximum distance required for P-LINCS: 1.172 nm Using 0 separate PME nodes, as there are too few total nodes for efficient splitting Scaling the initial minimum size with 1/0.8 (option -dds) = 1.25 Optimizing the DD grid for 8 cells with a minimum initial size of 3.624 nm The maximum allowed number of cells is: X 1 Y 1 Z 2 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists