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

Mark Abraham Mark.Abraham at anu.edu.au
Wed Oct 29 09:54:09 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

It's just an incorrect label. The code writes kJ/mol as the units for 
all ordinate (i.e. Y-axis) quantities since nobody's troubled to write a 
mechanism to fix it. You can edit the .xvg file by hand with a text 
editor to make it look right. g_energy -xvgr allows you to pass in 
additional lines for output, but I don't know if that will allow you to 
do anything useful here.

The units are probably kg m^-3


More information about the gromacs.org_gmx-users mailing list