[gmx-users] enthalpy and entropy using gromacs

Atila Petrosian atila.petrosian at gmail.com
Thu Dec 5 11:05:31 CET 2013

Hi gmx users

I want to obtain thermodynamic parameters for
protein-ligand interaction.

I know to obtain free energy and interaction energy
by g_lie or g_bar and g_energy, respectively.

Now, I want to know how to obtain enthalpy and
entropy using gromacs. Which tool?

Any help will highly appreciated.

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