Jones de Andrade wrote:
Hi all.
Well, I have some kind of a "didatic" doubt: Ok, from what I can
understand up to now, PME uses lagrande interpolation for the genaration
of the grid, while SPME uses cardinal B-splines to do so.
Is it correct? And if, so, gromacs implements PME or SPME (the manual
states PME, but also states B-splines)?
SPME. The GROMACS manual refers to the algorithm in ref 10 of the manual
as PME, even though it is a modification of the original algorithm in
ref 9, and that modification is often referred to as "smooth PME".
Mark
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