[gmx-users] non isotropic kinetic energy

[herz]

Berk Hess schrieb:
> Yes, we can agree that they are rigid bodies.
>
> I would say that you should get equipartitioning of rotational
> degrees of freedom.
> g_traj can compute rotational kinetic energies.
> For you whole system you would have to make each water
> an index group, select each water in g_traj and add all number up.

great, unless someone else is quicker than me I'll do this first thing
tomorrow.

Alex
>
> Berk