[gmx-users] total energy

Mark Abraham Mark.Abraham at anu.edu.au
Mon Mar 17 12:19:43 CET 2008

Daniel P. Luis Jimenez wrote:
> Hello
> i have a simulation of a box with 368 water  and 64 methanes molecules, and
> i have a value of the total energy in kj/mol, my question is ,is this energy
> the total energy in moles of all the system or per molecule of the system.
> for your help tks

kJ/mol = kilojoules per mole

Total energy is just that, not some weird per-molecule thing, which 
isn't even well-defined for a heterogeneous system.


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