[gmx-users] Regarding protocol of g_lie module

[neha chaudhary]

Dear users,

I want to calculate linear interaction energy for my protein-ligand complex
using g_lie module in Gromacs. I have ran two different simulations of
ligand, one with protein and other with water. But I am getting same values
for GBind while using g_lie for both simulations.

Can anyone help me about the exact usage protocol of g_lie?

Thanks