<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Hi,</div><div> Is it possible in GROMACS4.5 to perform computation of relative binding free energy of a ligand to a protein due to mutation in the ligand ( or due tio mutation in the protein)? </div><div>I have done the computation of solvation free energy of a solute in a solvent using FEP but looking for some suggestions or tutorial on how to compute the relative binding free energy in a protein-ligand system.</div><div>Any help will be appreciated.</div><div>Sanku</div></div></body></html>