# Mdp guidelines

**URL:** <https://gromacs.bioexcel.eu/t/mdp-guidelines/7224>\
**Category:** User discussions\
**Tags:** mdp-parameters, simulation-setup\
**Created:** [September 20, 2023, 6:34am UTC](https://gromacs.bioexcel.eu/t/mdp-guidelines/7224 "2023-09-20T06:34:36Z")\
**Posts on this page:** 2\
**Page:** 1

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**Author:** ![tkoh](https://avatars.discourse-cdn.com/v4/letter/t/a9adbd/32.png) [@tkoh](https://gromacs.bioexcel.eu/u/tkoh)\
**Post date:** [September 20, 2023, 6:34am UTC](https://gromacs.bioexcel.eu/t/mdp-guidelines/7224/1 "2023-09-20T06:34:36Z")

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GROMACS version: 2021.4-Ubuntu-2021.4-2  
GROMACS modification: No

Hi,

I am new to molecular dynamics simulation and I am making use of Gromacs to investigate the stability of a prion protein. I am making use of the Charmm36m force fields but am unsure of the parameters in the mdp file. Is there a sort of guideline as to the mdp file and the parameters one should select, I understand it is specific to force fields.

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**Author:** ![MagnusL](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/magnusl/32/2380_2.png) [@MagnusL](https://gromacs.bioexcel.eu/u/MagnusL)\
**Post date:** [September 21, 2023, 10:23am UTC](https://gromacs.bioexcel.eu/t/mdp-guidelines/7224/2 "2023-09-21T10:23:59Z")

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For information about the force field specific parameters have a look at [https://manual.gromacs.org/current/user-guide/force-fields.html](https://manual.gromacs.org/current/user-guide/force-fields.html). Some more general information can also be found in the user guide [https://manual.gromacs.org/current/user-guide/index.html](https://manual.gromacs.org/current/user-guide/index.html).