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
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