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Published 20 hours ago • verified publisher icon HITS-MBM

What is the virial in gromacs-fda

Open subhamoymahajan opened this issue 5 months ago • 0 comments

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) ?

subhamoymahajan avatar Aug 29 '24 00:08 subhamoymahajan