Re: [gmx-users] relative weight between the direct space sum and reciprocal space sum

Argyrios Karatrantos wrote: HI, according to the 3.2 gromacs manual , the ewald_rtol parameter is the relative strength of the electrostatic interaction at the cut off, decreasing this gives a more accurate direct sum, but a less accurate reciprocal sum(p. 81). The beta parameter is the param

[gmx-users] relative weight between the direct space sum and reciprocal space sum

HI, according to the 3.2 gromacs manual , the ewald_rtol parameter is the relative strength of the electrostatic interaction at the cut off, decreasing this gives a more accurate direct sum, but a less accurate reciprocal sum(p. 81). The beta parameter is the parameter that determines the relat