[gmx-users] Epsilon_r

[Justin Lemkul]

On Mon, Dec 17, 2018 at 1:49 AM Shan Jayasinghe <
shanjayasinghe2011 at gmail.com> wrote:

> Dear Gromacs Users,
>
> How do we determine the epsilon_r for a MD simulation? If we do a MD
> simulation for a system with some molecules in water, what is the value for
> epsilon_r? Is it equal to the relative dielectric permittivity of water?
>

It is vacuum permittivity. Don't change it.

https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2004-March/009650.html

-Justin

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Justin A. Lemkul, Ph.D.

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