[gmx-users] g_energy

Mark Abraham Mark.Abraham at anu.edu.au
Tue Jan 23 03:53:39 CET 2007

Dmitriy Golubobsky wrote:
> Dear GMX developers,
> and the question is:
> what kind if interactions consists, for example term
> LJ-(SR)
> he is equal for =LJ-SR:Poly-Poly+LJ-SR:Poly-SOL+LJ-SR:SOL-SOL
> or not?

If the union of Poly and SOL are the whole system, then yes, the above 
relation should be true, since LJ-(SR) is computed from a groupwise sum.

> and what about other?

Don't know what you mean. If the same question for electrostatics, then yes.


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