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

Mark Abraham mark.abraham at anu.edu.au
Thu Mar 8 03:34:41 CET 2007

> Dear Mark,
> I read the manual few times looking for a clue. The only thing I could
> understand it that epsilon_rf is not taking inti account if I don't use
> reaction field.

7.3.9 clearly says "epsilon_rf: (1) The relative dielectric constant of
the reaction field. This is only used with reaction-field electrostatics.
A value of 0 means infinity."


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