[gmx-users] Fourier nx, ny, nz

Bob Johnson robertjo at physics.upenn.edu
Wed Nov 2 01:12:26 CET 2005

Hello everyone,
I'm confused about determining the values of nx, ny, and nz used in PME. Should
they be roughly the same as your both length in that particular direction? For
example, if I have a box that is 6x6x14, should I choose nx=ny=6 and nz=14? Is
there an algorithm for choosing nx, ny, and nz?
Bob Johnson

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