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
Mark
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