[gmx-users] Gibbs free energy
s.neumann08 at gmail.com
Mon Dec 24 23:56:50 CET 2012
Obviosuly not. Total energy in MD = total potential energy + total
kinetic energy. Read basis of MD. There are specific methods to get
free energy which you should aslo read about.
On Mon, Dec 24, 2012 at 6:21 PM, mohammad agha <mra_bu at yahoo.com> wrote:
> Dear GROMACS Users,
> I work with NPT ensemble. Is the total energy equal to Gibbs free energy?
> Thanks in advance.
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