[gmx-users] Is it the correct label on Y axis ( density graph)

Jochen Hub jhub at gwdg.de
Wed Oct 29 09:54:50 CET 2008

hhhh huan wrote:
> Dear all,
> I am wondering that is it the correct label of y axis in the density graph which i obtained using g_energy? because it is not a density unit but is labeled as kJ/mol

Dear huan,

I would encourage you to read a few reviews on MD and the gromacs manual

g_energy doesn't write densities, but box vectors which you can use to
compute your density.


> Thanks guys.
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Dr. Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
Tel.: +49 (0)551 201-2312

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