[gmx-users] Interaction energy of system as a function of the interface area

[maryam haji]

Dear all

My system consists of protein and CNT. I know I can calculate
Interaction energy and interface area using g_energy and g_sas tools,
respectively.

I want to obtain Interaction energy of my system as a function of the
interface area between the protein and CNT.

How to do this?

Any help will highly appreciated.