# Applying restraining for a ligand in a binding pocket in ABFE calculation

**URL:** https://gromacs.bioexcel.eu/t/applying-restraining-for-a-ligand-in-a-binding-pocket-in-abfe-calculation/10367
**Category:** User discussions
**Tags:** free-energy
**Created:** [October 17, 2024, 8:31pm UTC](https://gromacs.bioexcel.eu/t/applying-restraining-for-a-ligand-in-a-binding-pocket-in-abfe-calculation/10367 "2024-10-17T20:31:20Z")
**Posts on this page:** 2
**Page:** 1

<div class="post-metadata">

### Author: ![jjmllen](https://avatars.discourse-cdn.com/v4/letter/j/e56c9b/32.png) [@jjmllen](https://gromacs.bioexcel.eu/u/jjmllen)
#### Post date: [October 17, 2024, 8:31pm UTC](https://gromacs.bioexcel.eu/t/applying-restraining-for-a-ligand-in-a-binding-pocket-in-abfe-calculation/10367/1 "2024-10-17T20:31:20Z")

</div>

GROMACS version:  
GROMACS modification: Yes/No  
Here post your question

Good day everyone

how can i applying restrains for the ligand to stay in the binding pocket

I have tried to install this but seem like doesnt support in my system [GitHub - IAlibay/MDRestraintsGenerator: Python code for generating Boresch restraints from MD simulations](https://github.com/IAlibay/MDRestraintsGenerator/)

---

<div class="post-metadata">

### Author: ![s.pallav](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/s.pallav/32/1099_2.png) [@s.pallav](https://gromacs.bioexcel.eu/u/s.pallav)
#### Post date: [October 18, 2024, 3:54am UTC](https://gromacs.bioexcel.eu/t/applying-restraining-for-a-ligand-in-a-binding-pocket-in-abfe-calculation/10367/2 "2024-10-18T03:54:37Z")

</div>

I guess one could do it manually