Description:
Versatile package for molecular dynamics calculations
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Type: Formula
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Tracked Since: Dec 28, 2025
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Links:
Homepage |
formulae.brew.sh
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Category: Other
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Tags:
molecular-dynamics
scientific-computing
chemistry
simulation
bioinformatics
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Install:
brew install gromacs
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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.
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Key Features:
- Extremely high performance with GPU acceleration
- Comprehensive suite of analysis tools
- Supports various biomolecular force fields
- Cross-platform compatibility
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Use Cases:
- Protein folding simulations
- Drug binding affinity calculations
- Membrane dynamics studies
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Alternatives:
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NAMD
– Highly scalable parallel molecular dynamics code
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AMBER
– Suite for biomolecular simulations with focus on force fields
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