Re: [gmx-users] Epsilon_r

Hi Justin, Thank you very much. On Tue, Dec 18, 2018 at 12:23 AM Justin Lemkul wrote: > On Mon, Dec 17, 2018 at 1:49 AM Shan Jayasinghe < > shanjayasinghe2...@gmail.com> wrote: > > > Dear Gromacs Users, > > > > How do we determine the epsilon_r for a MD simulation? If we do a MD > > simulation

Re: [gmx-users] Epsilon_r

On Mon, Dec 17, 2018 at 1:49 AM Shan Jayasinghe < shanjayasinghe2...@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 relati

[gmx-users] Epsilon_r

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? Thank you. -- Gromacs Users mailing list * Please search

[gmx-users] epsilon_r option

Dear all, I want to ask two questions about the epsilon_r and epsilon_rf option in mdp file to run CG simulation. If I do not specify 2 these option, the gromacs will return the default value (epsilon_r = 1 and epsilon_rf = 0). If the epsilon_r =15, is there any effect on the electrostatic interact