[gmx-users] SPME energy

[Mark Abraham]

Depends on the cutoff scheme. The Verlet scheme excludes more things in the
kernels, but I forget the details offhand. Check the manual.

Mark

On Thu, 2 Jun 2016 20:41 Parvez Mh <parvezmh89 at gmail.com> wrote:

> Dear all:
>
> I would like to SPME-reciprocal energy. In g_energy tool, it gives two
> options: Coulomb-(SR) and Coul.-recip. Does Coul.-recip contains any
> correction(self correction) or it is purely Kspace  energy?
> Thanks in advance.
>
> --Masrul
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