[gmx-users] Bad energy conservation.

[Ram'on Garc'ia Fern'andez]

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.

However, after hacking grompp so that it allows rlist > rvdw, I see
that increasing rvdw has no effect on the LJ energy.

What is the meaning of rlist when rlist > rvdw?
Does the interpretation of rlist depend on whether vdwtype = shift instead
of vdwtype = cut-off?

Ramon