Ewald summation parameters

Dear all,

I want to use Ewald summation with SPC/E model but I do not know how to apply the following settings:

“Ewald summations were used in our simulations with the parameter for κ = 2.0 1/Å and the real-space cut distance rcut and Kmax chosen as 10.0 Å and 7, respectively.”

http://dx.doi.org/10.5012/bkcs.2013.34.12.3800

I’d appreciate if anyone could help.

Regards

MN

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I found the solution. with “kspace_style” command one could adjust many parameters.

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