gromacs ☆
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Description:
Versatile package for molecular dynamics calculations
Type: Formula  |  Tracked Since: Dec 28, 2025
Links: Homepage  |  formulae.brew.sh
Category: Other
Tags: molecular-dynamics scientific-computing chemistry simulation bioinformatics
Install: brew install gromacs
About:
GROMACS (GROningen MAchine for Chemical Simulation) is a high-performance molecular dynamics package designed for simulating biochemical molecules like proteins, lipids, and nucleic acids. It offers extensive analysis tools and supports a wide range of force fields, making it essential for computational chemistry research.
Key Features:
  • Extremely high performance with GPU acceleration
  • Comprehensive suite of analysis tools
  • Supports various biomolecular force fields
  • Cross-platform compatibility
Use Cases:
  • Protein folding simulations
  • Drug binding affinity calculations
  • Membrane dynamics studies
Alternatives:
  • NAMD – Highly scalable parallel molecular dynamics code
  • AMBER – Suite for biomolecular simulations with focus on force fields
Version History
Detected Version Rev Change Commit
Mar 6, 2026 2:22pm 0 REVISION_ONLY aefc73ab
Mar 6, 2026 4:10am 2 REVISION_ONLY ca40f029
Jan 28, 2026 1:34pm 1 REVISION_ONLY 03f6794f
Sep 17, 2025 1:08pm 1 VERSION_BUMP d91c54aa
Sep 17, 2025 8:29am 1 VERSION_BUMP 98db1ec7
Sep 12, 2025 6:32pm 0 VERSION_BUMP ea292759
Oct 31, 2024 6:50pm 0 VERSION_BUMP 146c8a8d
Oct 31, 2024 3:37pm 0 VERSION_BUMP f512d6a7
Aug 2, 2024 12:37pm 0 VERSION_BUMP 8d003425
Jan 24, 2024 3:45pm 0 VERSION_BUMP 819165b9
Oct 19, 2023 5:01pm 0 VERSION_BUMP 3e856805
Oct 19, 2023 4:36pm 0 VERSION_BUMP 87510fde
Mar 29, 2023 10:46pm 0 VERSION_BUMP 484b0aa7
Mar 29, 2023 6:12pm 0 VERSION_BUMP f838ea24
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