# How to use drude force field in gromacs?

**URL:** <https://gromacs.bioexcel.eu/t/how-to-use-drude-force-field-in-gromacs/693>\
**Category:** User discussions\
**Created:** [August 21, 2020, 1:44am UTC](https://gromacs.bioexcel.eu/t/how-to-use-drude-force-field-in-gromacs/693 "2020-08-21T01:44:58Z")\
**Posts on this page:** 4\
**Page:** 1

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**Author:** ![lqhenwunai](https://avatars.discourse-cdn.com/v4/letter/l/4da419/32.png) [@lqhenwunai](https://gromacs.bioexcel.eu/u/lqhenwunai)\
**Post date:** [August 21, 2020, 1:44am UTC](https://gromacs.bioexcel.eu/t/how-to-use-drude-force-field-in-gromacs/693/1 "2020-08-21T01:44:58Z")

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GROMACS version:2020.2  
GROMACS modification: No

Dear all,

In the following link, it says one need the git version of gromacs to use drude force field. My current version of gromacs is 2020.2. So do I still need to use the git version of gromacs? Is the 2020.2 version good enough?  
[http://mackerell.umaryland.edu/charmm\_drude\_ff.shtml](http://mackerell.umaryland.edu/charmm_drude_ff.shtml)

Many thanks.

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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 21, 2020, 9:52am UTC](https://gromacs.bioexcel.eu/t/how-to-use-drude-force-field-in-gromacs/693/2 "2020-08-21T09:52:28Z")

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The Drude features are not officially supported; you must install from the git repository. Beware that only core functions work, domain decomposition is not yet functional due to code changes, and NBTHOLE is also not supported.

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**Author:** ![lqhenwunai](https://avatars.discourse-cdn.com/v4/letter/l/4da419/32.png) [@lqhenwunai](https://gromacs.bioexcel.eu/u/lqhenwunai)\
**Post date:** [August 25, 2020, 1:28am UTC](https://gromacs.bioexcel.eu/t/how-to-use-drude-force-field-in-gromacs/693/3 "2020-08-25T01:28:00Z")

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Dear Prof. Lemkul,

Many thanks for your explanation. I notice that in the manual there is a section named “polarization”. And it seems to me that this part is “well supported” in Gromacs with the Drude force field. I wonder, except the domain decomposition and NBTHOLE, is there any other functionality not working? i.e. I want to run an NVT calculation under periodic electric field. Will the Gromacs 2020.2 work?

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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 25, 2020, 1:43am UTC](https://gromacs.bioexcel.eu/t/how-to-use-drude-force-field-in-gromacs/693/4 "2020-08-25T01:43:17Z")

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What is described in the manual has nothing to do with our algorithms or force field. As far as I know, what is supported in GROMACS officially was only ever validated on simple water modes nearly 20 years ago.