>You are doing simulations with a lot of water (and perhaps with charge >groups),
>and that is the case where an unbuffered group scheme has the best >performance. >How much you like the physics is another story. Thank you for your answer. I didn't realize a system like this is already in the "lot of water"-regime (it makes sense though, ~95% of the particles is water). I could lower the water content a bit by reducing the solute to box distance (eg from 1.5 to 1.2/1.0nm), but that only saves a few percent. In practice it will mean that for any system containing soluble proteins, the group scheme will still be faster? Right? Groetnis, Djurre de Jong -- 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
