# PCA and DCCA analysis 

**URL:** <https://gromacs.bioexcel.eu/t/pca-and-dcca-analysis/13010>\
**Category:** User discussions\
**Tags:** analysis-tools\
**Created:** [December 4, 2025, 7:12pm UTC](https://gromacs.bioexcel.eu/t/pca-and-dcca-analysis/13010 "2025-12-04T19:12:33Z")\
**Posts on this page:** 2\
**Page:** 1

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**Author:** ![Bipro](https://avatars.discourse-cdn.com/v4/letter/b/91b2a8/32.png) [@Bipro](https://gromacs.bioexcel.eu/u/Bipro)\
**Post date:** [December 4, 2025, 7:12pm UTC](https://gromacs.bioexcel.eu/t/pca-and-dcca-analysis/13010/1 "2025-12-04T19:12:33Z")

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I want to do PCA, DCCA and correlation matrix analysis for my Molecular Dynamics Simulation result in gromacs. I need widely accepted codes for this reason. I will generate the eigenvectors.What groups I need to select for square fit and for output ?

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**Author:** ![ishanipaul](https://avatars.discourse-cdn.com/v4/letter/i/f08c70/32.png) [@ishanipaul](https://gromacs.bioexcel.eu/u/ishanipaul)\
**Post date:** [December 6, 2025, 1:11pm UTC](https://gromacs.bioexcel.eu/t/pca-and-dcca-analysis/13010/2 "2025-12-06T13:11:16Z")

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Usually c-alpha is chosen for PCA analysis.