[gmx-users] dielectric constant of the medium

Nazish Hoda nazish at umich.edu
Wed Sep 17 00:50:40 CEST 2008

Hi all,


I am doing some coarse-grained simulations, where I have removed the solvent
molecules from the system. In order to incorporate the effect of solvent in
my simulations, I need to tune the dielectric constant of the medium. 

Will just changing "epsilon_r" in the mdp file work or do I need to do some
other fancy stuff? 

Later on, I want to use two different dielectric constants, i.e. a near
field value and a far field value.

Is there an easy way of doing this or do I need to modify the source code ? 

I don't understand the reaction field concept well, still will something on
that line work ?


Thanks,  Nazish

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