[gmx-users] adsoption of peptide into surface

[Alexander Alexander]

Dear Gromacs user,

I want to compare the adsorption behavior of four different short peptides
into a solid surface in aqueous solution to indicate which one of them has
stuck stronger on the solid surface and the driving force behind the
adsorption as well.

The 80 ns simulations of each of them have been already finished
successfully.The "gmx distance and "gmx pairdist" helped me to see how the
peptides are approaching the surface, but not surely enough to reach my
goals, so, I would be so appreciated if you could suggest some parameters
calculable(easier that PMF and FEP) in gromacs that address me to my goal.

Thanks.
Regards,
Alex