[gmx-users] how to simulate at a specific dielectric constant

Qiao Baofu qiaobf at gmail.com
Wed Nov 15 10:49:00 CET 2006

Hi David,

There is not a simulation parameter that you can change that will influence
> the dielectric constant of your system.

I don't grasp this. If the system has two fluid, one as solute, another as
solvent. I had thought that I should change the value epsilon_r in the .mdp
file from the default 1 to some other value. Is it wrong?

> David.

Sincerely yours,
Baofu Qiao, PhD
Frankfurt Institute for Advanced Studies
Max-von-Laue-Str. 1
60438 Frankfurt am Main, Germany TEL:+49-69-7984-7529
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