Basic question on fixed atom

From: Ganesh Kamath (
Date: Thu Oct 11 2012 - 09:08:37 CDT

Hi Folks,
  I have a basic question: When we keep certain atoms fixed during a
what happens to the Lorentz Berthelot combining rules for the pair wise
interaction involving
the fixed atom and the surrounding non fixed atom.
Is keeping the atom fixed, an extreme form of constraint on reducing the
oscillations induced by
the harmonic potentials contributing to the energy of the pair wise

Can anyone please help me with this or direct to some literature.


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