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

What is the virial in gromacs-fda #55

Open

subhamoymahajan opened this issue Aug 29, 2024 · 0 comments

subhamoymahajan commented Aug 29, 2024

Could I get more context on what equation is used to calculate the virial?

Is it \tau_{ij}, \tau_{ij}\Omega , or just 0.5\sum (r_{ij}^{l} - r_{ij}^{k})f_j^{kl} (https://en.wikipedia.org/wiki/Virial_stress) ?

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