[gmx-users] carbon dioxide model does not provide valid ideal-gas pressure

[Amin Rouy]

Hi,

I work with carbon dioxide topology modeled by Justin in his tutorial page.
For a very simple case, I try it with zero charge and zero interaction and
expect the ideal-gas equation of state to be occurred. But it does not. To
my trial and errors it seems the pressure is calculated with a bug.

Thanks if someone can comment,