[gmx-users] energy terms vs. temperature

[Mark Abraham]

On 7/09/2011 5:01 AM, Juliette N. wrote:
> Dear users,
>
> I have a short question about temperature dependence of enregy terms 
> i.e bonds, angles, torsions, vdw , electorstatics. I am curious why 
> these energies increase with T. Especially bonded terms that have no 
> temperature dependence in the functional form ( force constants), why 
> all bonded energy terms are increasing with T?

See 
http://en.wikipedia.org/wiki/Equipartition_theorem#Potential_energy_and_harmonic_oscillators

Mark