# Are there any comprehensive tutorial of calculate Binding free energy of ligand-protein using FEP?

**URL:** <https://gromacs.bioexcel.eu/t/are-there-any-comprehensive-tutorial-of-calculate-binding-free-energy-of-ligand-protein-using-fep/1205>\
**Category:** User discussions\
**Created:** [December 5, 2020, 2:50pm UTC](https://gromacs.bioexcel.eu/t/are-there-any-comprehensive-tutorial-of-calculate-binding-free-energy-of-ligand-protein-using-fep/1205 "2020-12-05T14:50:47Z")\
**Posts on this page:** 3\
**Page:** 1

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**Author:** ![jimzz](https://avatars.discourse-cdn.com/v4/letter/j/f0a364/32.png) [@jimzz](https://gromacs.bioexcel.eu/u/jimzz)\
**Post date:** [December 5, 2020, 2:50pm UTC](https://gromacs.bioexcel.eu/t/are-there-any-comprehensive-tutorial-of-calculate-binding-free-energy-of-ligand-protein-using-fep/1205/1 "2020-12-05T14:50:47Z")

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GROMACS version: gromacs 5.1.5  
GROMACS modification: No

I want to perform FEP calculation of ligand-protein system , howerver i cant find any step-to-step tutorial that calcualte binding free energy using FEP method after MD by gromacs, can someone pvovide any helpful information about this topic?

Best regards!  
jimzz

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**Author:** ![cblau](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/cblau/32/5_2.png) [@cblau](https://gromacs.bioexcel.eu/u/cblau)\
**Post date:** [December 7, 2020, 9:56am UTC](https://gromacs.bioexcel.eu/t/are-there-any-comprehensive-tutorial-of-calculate-binding-free-energy-of-ligand-protein-using-fep/1205/2 "2020-12-07T09:56:38Z")

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Hi jimzz,

have a look here:

> **[Free Energy Calculations](http://www.mdtutorials.com/gmx/free_energy/08_advanced.html)**

or here for non-equilibrium method:

> **[pmx](http://pmx.mpibpc.mpg.de/tutorial.html)**

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**Author:** ![jimzz](https://avatars.discourse-cdn.com/v4/letter/j/f0a364/32.png) [@jimzz](https://gromacs.bioexcel.eu/u/jimzz)\
**Post date:** [December 27, 2020, 2:07am UTC](https://gromacs.bioexcel.eu/t/are-there-any-comprehensive-tutorial-of-calculate-binding-free-energy-of-ligand-protein-using-fep/1205/4 "2020-12-27T02:07:26Z")

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Hi cblau, thank you very much for your valuabel advice. That’s what I am looking for.

Best regards!