# How to calculate the binding energy in the Martini coarse-grained MD simulation?

**URL:** https://gromacs.bioexcel.eu/t/how-to-calculate-the-binding-energy-in-the-martini-coarse-grained-md-simulation/328
**Category:** User discussions
**Created:** [June 17, 2020, 6:33am UTC](https://gromacs.bioexcel.eu/t/how-to-calculate-the-binding-energy-in-the-martini-coarse-grained-md-simulation/328 "2020-06-17T06:33:34Z")
**Posts on this page:** 3
**Page:** 1

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### Author: ![Tim](https://avatars.discourse-cdn.com/v4/letter/t/ce73a5/32.png) [@Tim](https://gromacs.bioexcel.eu/u/Tim)
#### Post date: [June 17, 2020, 6:33am UTC](https://gromacs.bioexcel.eu/t/how-to-calculate-the-binding-energy-in-the-martini-coarse-grained-md-simulation/328/1 "2020-06-17T06:33:34Z")

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GROMACS version: 2020  
GROMACS modification: No  
Here post your question

Hi everyone,

I want to calculate the binding energy between the protein and the solid surface in Martini coarse-grained MD simulations conducted by Gromacs.

Could you tell me how to do that?

Many thanks, and best wishes.

Tim

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### Author: ![jalemkul](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/jalemkul/32/18_2.png) [@jalemkul](https://gromacs.bioexcel.eu/u/jalemkul)
#### Post date: [June 18, 2020, 3:23pm UTC](https://gromacs.bioexcel.eu/t/how-to-calculate-the-binding-energy-in-the-martini-coarse-grained-md-simulation/328/2 "2020-06-18T15:23:50Z")

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Probably the most conventional approach would be umbrella sampling.

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### Author: ![Tim](https://avatars.discourse-cdn.com/v4/letter/t/ce73a5/32.png) [@Tim](https://gromacs.bioexcel.eu/u/Tim)
#### Post date: [June 23, 2020, 5:49am UTC](https://gromacs.bioexcel.eu/t/how-to-calculate-the-binding-energy-in-the-martini-coarse-grained-md-simulation/328/3 "2020-06-23T05:49:07Z")

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Thank you very much!
