Getting total energy of system + pressure and temperature bath.

From: Audrey Salazar (
Date: Wed Oct 15 2008 - 16:23:12 CDT

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

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