[gmx-users] binding free energy

[有盼 缪]

Dear all，
 
How should I use GROMACS to get the binding free energy of a ligand--protein complex?
and what the binding free energy may be, absolute binding free energy or  relative binding free energy?
The last question is :When I finished the molecular dynamics simulation with GROMACS, how can I get the absolute binding free energy?
 
Waiting for your help,
Thank you very much!
 
youpan


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