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.”


I’d appreciate if anyone could help.



Sent with Mailtrack

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

Sent with Mailtrack