GROMACS version: 2019.2
GROMACS modification: No
When using GMX dielectric to calculate frequency dependent dielectric constants, is it possible for the user to specify the maximum frequency, or better still the frequency range, over which these are calculated?
I haven’t yet found an option to do this directly with GMX dielectric, so is the frequency range somehow set when generating the dipole autocorrelation function (ACF) using GMX dipoles?
Any guidance is appreciated.