[gmx-users] Dielectric constant

[Daejoong Kim]

Hi all.

Just to make sure, I would like to ask about how dielectric constant is
computed with "g_dipole".
Do you use Kirkwood formula written as

(epsilon_r - 1)(2 epsilon_r + 1)   4 pi rho mu^2 g
-------------------------------- = ---------------
            epsilon_r                    k T

where g = ( <M^2> - <M>^2 ) / N mu^2  (Kirkwood factor), mu is chemical
potential, rho is density.
Do I miss something?



Best regards,


Daejoong Kim

PhD candidate
Mechanical Engineering
Stanford University
Stanford, CA 94305