[gmx-users] Dielectric Constant

Life Sciences Inc contact.lifesciences.inc at gmail.com
Thu Jun 16 18:05:36 CEST 2016


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


More information about the gromacs.org_gmx-users mailing list