On Wed, Dec 07, 2005, Germ?n Sciaini wrote:
> Does someone know the meaning of the EKCMT values in the
> mdout file?
It is (sum of) the kinetic energy of the center of mass for each molecule.
This is used in computing the pressure tensor.
....dac
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Received on Wed Dec 07 2005 - 20:53:01 PST
