[gmx-users] binding free energy

[Alexander Alexander]

Dear gromacs user,

I was wondering if anybody has any experience with binding free energy
calculation of a molecule (here amino acid) into a solid surface in aqueous
solution using alchemical analysis?

I have already tried successfully the tutorial of methane solvation free
energy in water and some other examples, but looks all of them are
solvation free energy and not binding free energy!

Thanks.
Regards,
Alex