New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

gromacs-mdp:with verlet lists rcoulomb!= rvdw is not supported #49

Open

yuchen22 opened this issue Jun 16, 2021 · 3 comments

yuchen22 commented Jun 16, 2021

rvdw = 1.2, right?

Member

davidlmobley commented Jun 16, 2021

These do not necessarily need (or at least have not always needed) to be the same, as they cover different parts of the potential.

Member

davidlmobley commented Jun 16, 2021

(As you note with verlet lists these DO need to be the same, so I would suggest modifying accordingly, e.g. rvdw-switch=1.1 and rvdw = 1.2)

Author

yuchen22 commented Sep 19, 2021

Thank you very much

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment