# Binding energy calculation

**URL:** <https://gromacs.bioexcel.eu/t/binding-energy-calculation/8095>\
**Category:** User discussions\
**Tags:** analysis-tools\
**Created:** [January 20, 2024, 3:37pm UTC](https://gromacs.bioexcel.eu/t/binding-energy-calculation/8095 "2024-01-20T15:37:28Z")\
**Posts on this page:** 2\
**Page:** 1

<div class="post-metadata">

**Author:** ![Dulaj](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/dulaj/32/3408_2.png) [@Dulaj](https://gromacs.bioexcel.eu/u/Dulaj)\
**Post date:** [January 20, 2024, 3:37pm UTC](https://gromacs.bioexcel.eu/t/binding-energy-calculation/8095/1 "2024-01-20T15:37:28Z")

</div>

GROMACS version: 2023.2  
GROMACS modification: Yes/No  
Here post your question  
Hi, I want to approximate binding energies for the docked complexes. However, the protein is a membrane protein. Can I still use gmx lie or other methods provided by GROMACS? I want just to approximate binding energies with a significant accuracy compared to the binding energies given by the docking software.  
Thanks.

---

<div class="post-metadata">

**Author:** ![Nik](https://avatars.discourse-cdn.com/v4/letter/n/6de8d8/32.png) [@Nik](https://gromacs.bioexcel.eu/u/Nik)\
**Post date:** [January 20, 2024, 3:55pm UTC](https://gromacs.bioexcel.eu/t/binding-energy-calculation/8095/2 "2024-01-20T15:55:06Z")

</div>

May be gmx\_MMPBSA tool (must be installed separately) is helpful in your case? Here are instructions for installation and examples for different types of systems. [Examples - gmx\_MMPBSA Documentation](https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/examples/)