[gmx-users] How to calculate the thermodynamic properties of the solution?

Chih-Ying Lin chihying2008 at gmail.com
Mon Dec 15 06:12:05 CET 2008


HI
How to calculate the thermodynamic properties of the solution?

The thermodynamic properties of the solution, for example,
entropy, delta S
enthalpy, delta H
Gibbs free energy, delta G
free energy, delta nu

How to extract the thermodynamic properties from the MD simulated system?

Thank you
Lin



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