Jochen Hub wrote:
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,
1)
I would encourage you to read a few reviews on MD and the gromacs manual
carfully.
2)
g_energy doesn't write densities, but box vectors which you can use to
compute your density.
mdrun calculates densities for simulations with non-constant volume, and
g_energy will show and plot these.
Mark
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