[gmx-users] PME, epsilon_rf and dielectric constant calculation

[Itamar Kass]

Dear all,

I wish to calculate the dielectric constant of small molecules liquids.
In order to do so, I am simulating the system using PME, with epsilon_r 
                = 1.

I have few questions:
1. What is the meaning of epsilon_rf when I am using PME, if it 
important, what it should be?
2. Whet is the best way to calculate the dielectric constant of the 
simulation box, does g_dipole is enough or should I use g_dielectric also.

Best, Itamar