[gmx-users] relative weight of direct and reciprocal sum

Mark Abraham mark.abraham at anu.edu.au
Wed Dec 6 03:01:00 CET 2006

> Hi gromacs users,
> is there any way to set the  beta parameter in gromacs which determines
> the relative weight of the direct and reciprocal sum for the long range
> electrostatics? is the fourier spacing the only way to control the
> reciprocal sum in the long range electrostatics?

As you would see if you read section 4.9 of the manual, the ewald_rtol
parameter does influence this relative weight. It is not beta, however,
and I forget the correspondence, but I may get to look it up in my notes
this afternoon.


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