[gmx-users] Dielectric Constant

[Mark Abraham]

Hi,

These are all documented in the mdp sections. What isn't clear?

Mark

On Thu, 16 Jun 2016 18:06 Life Sciences Inc <
contact.lifesciences.inc at gmail.com> wrote:

> Hi all
>
> Exactly in Gromacs what and where is Dielectric constant option , If for
> example I have to run simulations to study behavior of water around
> molecules, and I am using experimental value of SPC/E water model as 71 for
> Dielectric constant. But in my input file for gromacs where I will put
> Dielectric constant is it epsilon-surface, or epsilon-r or epsisilon-rf, it
> is little confusing. Kindly someone elaborate .
>
> Thank you
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