PME GridSize

From: Neelanjana Sengupta (
Date: Tue Nov 07 2006 - 17:57:24 CST


As per my thinking, the PMEGridSizeX, PMEGridSizeY and PMEGridSizeZ should
be greater than (or at least equal to), the lengths along the X, Y and Z
axes of the simulation box (assuming cubical box).
Could somebody point out if my thinking is not correct, and how the
PMEGridSizes affects the accuracy of the simulation results?

Thanks and regards,

Neelanjana Sengupta, PhD student
Dept. of Chemistry
Univ. of California-Irvine
Irvine, CA 92697
Phone: 1-949-824 9921

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