[gmx-users] question on energies

[Mark Abraham]

Viswanadham Sridhara wrote:
> 
> Hello Gmx users,
> Yesterday I have put a very basic question in the list.
> I want to know if the "total energy" of the system is a constant for the 
> entire simulation in both NPT and NVT simulations. If so, any 
> theoretical reason give for this?
> I could not find detailed description in the manual. Any suggestions?

If equilibrated, then yes, the average of total energy will be constant 
in any ensemble I can think of.

Mark