[gmx-users] Bad energy conservation.

Ram'on Garc'ia Fern'andez ramon at jl1.quim.ucm.es
Thu Dec 5 11:03:35 CET 2002


On Wed, Dec 04, 2002 at 07:57:02PM +0100, David wrote:
> if rlist < rcoul or rlist < rvdw, then a twin range setup is used, where
> long range forces (rlist < r < rvdw) are only computed when you do
> neighboursearching.

Does that depend on vdw_type = cut-off versus vdw_type = shift ?

Ramon



More information about the gromacs.org_gmx-users mailing list