[gmx-users] How to get pressure in a specific area of a system？
gaokai161 at mails.ucas.ac.cn
Wed Dec 26 07:34:56 CET 2018
For pure gas in the box, it is easy to get pressure.
But my model is a spherical adsorbent filled with some gas, I don't know how to get the pressure of the spherical gas region in gromacs.
There seems to be no introduction to this part of the Gromacs manual.
Does anyone know how to get the pressure in a specific area of the system (such as a gas in a spherical hole)?
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