Re: AMBER: hi

From: David A. Case <>
Date: Wed, 7 Dec 2005 12:01:52 -0800

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.


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Received on Wed Dec 07 2005 - 20:53:01 PST
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