# Ligand binding free energy in a burried pocket

**URL:** <https://gromacs.bioexcel.eu/t/ligand-binding-free-energy-in-a-burried-pocket/9888>\
**Category:** User discussions\
**Tags:** free-energy\
**Created:** [August 15, 2024, 7:41am UTC](https://gromacs.bioexcel.eu/t/ligand-binding-free-energy-in-a-burried-pocket/9888 "2024-08-15T07:41:10Z")\
**Posts on this page:** 1\
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**Author:** ![Wentao](https://avatars.discourse-cdn.com/v4/letter/w/a9adbd/32.png) [@Wentao](https://gromacs.bioexcel.eu/u/Wentao)\
**Post date:** [August 15, 2024, 11:12am UTC](https://gromacs.bioexcel.eu/t/ligand-binding-free-energy-in-a-burried-pocket/9888/5 "2024-08-15T11:12:11Z")

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I asked Professor Hess under another question, when I also asked whether it was necessary to decoupling the ligand of the complex system under vacuum condition. [TI - Free Energy - couple-intramol=no](https://gromacs.bioexcel.eu/t/ti-free-energy-couple-intramol-no/4656) Prof.Hess replied yes.

I’m doing calculations on different types of systems. I think my understanding of the parameter `couple-intramol` is still not enough.

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