jalemkul at vt.edu
Mon Dec 17 14:23:15 CET 2018
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.
Justin A. Lemkul, Ph.D.
Office: 301 Fralin Hall
Lab: 303 Engel Hall
Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
More information about the gromacs.org_gmx-users