[gmx-users] reciprocal vector of Ewald summation

Zhenyu Meng fdmm1989 at gmail.com
Thu Apr 28 09:39:51 CEST 2016


Dear gmx users,
I'm curious about how to determine the magnitude of reciprocal vectors in
normal Ewald summation.
Take the example in the manual(4.6.5), the box length is 3nm and Fourier
spacing is 0.6, then it says there will be 11 wave vectors in each
direction.
How to get this value?

-- 
Sincerely,
Mr. Meng Zhenyu
Division of Chemistry and Biological Chemistry
School of Physical and Mathematical Sciences
Nanyang Technological University

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