[gmx-users] reaction field and permittivity

Johnny Lu johnny.lu128 at gmail.com
Thu Sep 10 22:40:04 CEST 2015

Dear Users,

I used mdp file at the following url for NVE vacuum simulation

Does epsilon_rf affect the simulation?

epsilon_rf is dielectric constant beyond the cut-off.

Since I set 0 for all the cut-off, the cut-off should be infinity. Does
that means the epsilon_rf never get used ?

Also, epsilon_r = 1. So the simulation will always use the vacuum
permittivity when calculating coulombic interactions?

Thank you for your help.

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