[gmx-users] Tabulated non-bonding interactions and speed

[David van der Spoel]

Ran Friedman wrote:
> Dear list subscribers,
> 
> L. Nilsson reports that the recent version of CHARMM runs much faster
> with tabulated non-bonding interactions. Do you think this should apply
> to GMX as well?
> 
> Ran.
> 
For simple LJ and Coulomb not.  But for PME we use tables as well, to 
make it faster, and also for shifted potentials.

-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se