# Get the dihedral angles in proper format for gromacs?

**URL:** <https://gromacs.bioexcel.eu/t/get-the-dihedral-angles-in-proper-format-for-gromacs/605>\
**Category:** User discussions\
**Created:** [July 30, 2020, 9:44pm UTC](https://gromacs.bioexcel.eu/t/get-the-dihedral-angles-in-proper-format-for-gromacs/605 "2020-07-30T21:44:55Z")\
**Posts on this page:** 2\
**Page:** 1

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**Author:** ![rezaamani](https://avatars.discourse-cdn.com/v4/letter/r/d6d6ee/32.png) [@rezaamani](https://gromacs.bioexcel.eu/u/rezaamani)\
**Post date:** [July 30, 2020, 9:44pm UTC](https://gromacs.bioexcel.eu/t/get-the-dihedral-angles-in-proper-format-for-gromacs/605/1 "2020-07-30T21:44:55Z")

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GROMACS version: 2019.3  
GROMACS modification: No  
Here post your question  
I have the chemical shift assignment of a protein and I can calculate the dihedral angles. Now I want to use these calculated dihedral angles as a restraint to refine protein structure and run some simulation under these constraint.  
Does anyone know what is the quickest way get the dihedral angles in proper format for gromacs?

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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:** [August 2, 2020, 10:38am UTC](https://gromacs.bioexcel.eu/t/get-the-dihedral-angles-in-proper-format-for-gromacs/605/2 "2020-08-02T10:38:58Z")

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Set up dihedral restraints. See [http://manual.gromacs.org/current/reference-manual/functions/restraints.html?highlight=dihedral%20restraints#dihedral-restraints](http://manual.gromacs.org/current/reference-manual/functions/restraints.html?highlight=dihedral%20restraints#dihedral-restraints) for the functional form and [http://manual.gromacs.org/current/reference-manual/topologies/topology-file-formats.html](http://manual.gromacs.org/current/reference-manual/topologies/topology-file-formats.html) for implementation in your topology.