[gmx-users] Regarding protocol of g_lie module

neha chaudhary nehachaudhary769 at gmail.com
Fri Dec 22 13:27:01 CET 2017

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?


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