From c66b2b9d2d7fea6c2aeaac503712eb7463109452 Mon Sep 17 00:00:00 2001 From: Simon Gravelle Date: Tue, 28 May 2024 22:54:40 +0200 Subject: [PATCH] update tutorial --- .../source/tutorials/level1/protein-in-electrolyte.rst | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/docs/sphinx/source/tutorials/level1/protein-in-electrolyte.rst b/docs/sphinx/source/tutorials/level1/protein-in-electrolyte.rst index bc5b78a..a5a143c 100644 --- a/docs/sphinx/source/tutorials/level1/protein-in-electrolyte.rst +++ b/docs/sphinx/source/tutorials/level1/protein-in-electrolyte.rst @@ -387,10 +387,11 @@ Run the molecular dynamics As the simulation progresses, the volume of the box decreases and better adjust to the fluid content of the box, as can be seen using *gmx energy* - and choosing *volume*: + and extracting the *volume*, and/or by extracting the *density*: .. code-block:: bash - gmx energy -f npt.edr -o potential-energy-npt.xvg + gmx energy -f npt.edr -o volume-npt.xvg + gmx energy -f npt.edr -o density-npt.xvg .. include:: ../../non-tutorials/accessfile.rst