[gmx-users] Potential Energy Units
yhsong at ccb.wustl.edu
Thu Jun 24 19:32:26 CEST 2004
> > Hello Gromacs Users,
> > I'm having difficulty understanding the unit of potential energy
> > by g_energy. First I thought It must be KJ/mol as stated in the manual
> > I see in my simulations it depends on the number of molecules in the
> > simulation box so it probably can't be "/mol".
> kj/mol system.
> If you have a homogeneous system (e.g. pure water) you can divide by the
> number of molecules.
The results obtained from the g_energy show the potential unit (V), the
electric potential unit shown on the manual is: KJ/(mol e), in the manual,
it also shows that KJ/mole=0.010364272V. Does the g_energy had counted the
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