AMBER Archive (2005)

Subject: Re: AMBER: hi

From: David A. Case (case_at_scripps.edu)
Date: Wed Dec 07 2005 - 14:01:52 CST


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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu