[gmx-users] Bad energy conservation.

[Ram'on Garc'ia Fern'andez]

On Thu, Dec 05, 2002 at 01:39:40PM +0100, K.A. Feenstra wrote:
> Yes - but that is not what I meant to say. My 'no' was in reply to
> whether rlist means something different when using 'shift' i.s.o.
> 'cut-off' Coul&vdw.


Hmm, there is something that I cannot explain. I had a simulation where
rvdw < rlist (using a hacked grompp). The suprising thing is that the
energy did not suffer any change when modifying rvdw, but was highly sensible
to changes in rlist. Why?

Ramon