[gmx-users] Free Energy calculation

RINU KHATTRI nickname.mittu at gmail.com
Thu Nov 13 10:09:13 CET 2014

hello gromacs users i am working on protein ligand complex with popc
membrane i want to calculate the free energy of protein and ligand i
have to follow which tutorial (methane in  water) but my protein is
membrane protein i am also running md simulation (70 ns)  i am new in
free energy calculation from where i have to start after the
production md or  i can start from the original pdb file
kindly help

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