[gmx-users] Re: LIE method with PME

[Mark Abraham]

I'd at least use RF! Use a cut-off consistent with the force field
parameterization. And hope the LIE correlates with reality!

Mark
On Nov 7, 2013 10:39 PM, "Williams Ernesto Miranda Delgado" <
wmiranda at fbio.uh.cu> wrote:

> Thank you Mark
> What do you think about making a rerun on the trajectories generated
> previously with PME but this time using coulombtype: cut-off? Could you
> suggest a cut off value?
> Thanks again
> Williams
>
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