[gmx-users] Box Pressure on individual box walls
David van der Spoel
spoel at xray.bmc.uu.se
Sun Dec 16 21:45:47 CET 2012
On 2012-12-16 21:09, John Doe wrote:
> Hello All,
> I was wondering if it's possible to get the pressure on individual walls of a pbc cubic box. I specifically want the pressure on the walls perpendicular to the x, y, z axis.
g_energy will do it.
> Thank you for your time.
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David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
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