[gmx-users] interaction energy

[fatemeh ramezani]

 HI
I'm simulating gold-protein interaction by gromacs. after MD simulation I want to calculate interaction energy of each aminoacids with 

AU surface. 
Enon-bond = E(vdw) + E(elec) 


gold atoms  charge in simulation were considered 0, then E non-bonded=E(vdw)
Is this true?
The interaction energy is equal to the van der Waals energy?


Fatemeh Ramezani