- #1
aihaike
- 55
- 0
Hey,
When performing Molecular dynamic or Monte Carlo simulation (in NPT or NVT ensemble), I'm wondering whether there is any difference between the average energy of the system and the energy of the average structure.
If there is a difference, how munch should it be? and why?
Does the the energy of the average structure refer to the lattice energy?
Thank you.
When performing Molecular dynamic or Monte Carlo simulation (in NPT or NVT ensemble), I'm wondering whether there is any difference between the average energy of the system and the energy of the average structure.
If there is a difference, how munch should it be? and why?
Does the the energy of the average structure refer to the lattice energy?
Thank you.