# Proximal Radial Distribution Function

**URL:** <https://gromacs.bioexcel.eu/t/proximal-radial-distribution-function/3028>\
**Category:** User discussions\
**Created:** [October 25, 2021, 3:12pm UTC](https://gromacs.bioexcel.eu/t/proximal-radial-distribution-function/3028 "2021-10-25T15:12:44Z")\
**Posts on this page:** 3\
**Page:** 1

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**Author:** ![debsem](https://avatars.discourse-cdn.com/v4/letter/d/2acd7d/32.png) [@debsem](https://gromacs.bioexcel.eu/u/debsem)\
**Post date:** [October 25, 2021, 3:12pm UTC](https://gromacs.bioexcel.eu/t/proximal-radial-distribution-function/3028/1 "2021-10-25T15:12:44Z")

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GROMACS version: 2020.6  
GROMACS modification: No  
I would like to do some pRDF analysis on my peptides. I would like to know if this is possible with gromacs or if I can add some specifications doing RDF analysis.  
([rdf\_analysis | GENESIS](https://www.r-ccs.riken.jp/labs/cbrt/samples/rdf_analysis/))

Thank you in advance!!  
Deborah

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**Author:** ![hess](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/hess/32/416_2.png) [@hess](https://gromacs.bioexcel.eu/u/hess)\
**Post date:** [October 26, 2021, 8:04am UTC](https://gromacs.bioexcel.eu/t/proximal-radial-distribution-function/3028/2 "2021-10-26T08:04:11Z")

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I guess the -surf mol option of gmx rdf does what you want, but I didn’t even now this existed, so I haven’t tried this.

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**Author:** ![lmiq](https://avatars.discourse-cdn.com/v4/letter/l/ba9def/32.png) [@lmiq](https://gromacs.bioexcel.eu/u/lmiq)\
**Post date:** [July 11, 2024, 2:45pm UTC](https://gromacs.bioexcel.eu/t/proximal-radial-distribution-function/3028/3 "2024-07-11T14:45:44Z")

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I’m very late to the thread (found it by googling these distribution functions), but would like to point to the [https://m3g.github.io/ComplexMixtures.jl](https://m3g.github.io/ComplexMixtures.jl) package, which provides very general tools for understanding the structure of complex solute-solvent interactions. It is compatible with Gromacs trajectories. I hope it is useful for the community.
