Getting total energy of system + pressure and temperature bath.

From: Audrey Salazar (alsalazar_at_u.northwestern.edu)
Date: Wed Oct 15 2008 - 16:23:12 CDT

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Hello
As a quick check to ensure that the simulation is running properly, I would
like to check that the energy of my system, the pressure bath I am using and
the temperature bath that I am using is conserved. I believe that the TOTAL,
TOTAL2 and TOTAL3 calculate the total system energy without the pressure and
temperature bath.

Is there any way for me to check this?

Thank you.

Audrey

-- 
Audrey L. Salazar
Amaral Research Group
Dept. of Chemical and Biological Engineering
Northwestern University
Evanston, IL USA
Phone: 847.491.2188

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