[gmx-users] g_energy and pressure
Mark.Abraham at anu.edu.au
Thu Aug 9 04:44:24 CEST 2007
Christopher Stiles wrote:
> I am trying to analyze the pressure of my box with respect to time using
> g_energy but it seems to give crazy numbers. For example it gives
> positive and negative numbers in the 1000’s. What units does it use or
> how does it calculate this? Should I be using another application to
> look at this?
> Additionally I am running it with a constant NVT setup.
The answer here http://wiki.gromacs.org/index.php/FAQs applies for this
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