[gmx-users] Lie method for binding free energy calculations

[Sajad Ahrari]

Hello dears 
searching through literature, many cases of LIE method application for BFE  calculation of small molecules are on hand . but I couldn't find any report of using this method for interaction of small peptides and proteins. I wanted to know if the protocol prepared in Justin tutorial (http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/free_energy/01_theory.html) can be used in such case? and if so, should I apply any constrain on rotatable bonds of peptide along the simulation within the non-bonded state?
best,
Sajad