[gmx-users] Bad energy conservation.
Ram'on Garc'ia Fern'andez
ramon at jl1.quim.ucm.es
Thu Dec 5 14:11:35 CET 2002
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?
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