hhhh huan wrote:
Dear all gmx users and developers, Is it correct that in gromacs energy (density graph), the y-axis is labelled as kJ/mol, I am wonder it is not a density unit.

In the output that I have from g_density (v 3.3), the the .xvg file has the y-axis labeled as:

yaxis  label "Density (kg/m\S3\N)"

...which is a density unit. Where are you seeing kJ/mol? Which version of Gromacs? What command did you issue?

-Justin

Thanks


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--
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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