GROMACS
High-performance molecular dynamics engine for biomolecular simulation.
GROMACS development team (KTH, Uppsala and others)
What it does
Production MD engine. Input: structure + topology + run parameters; output: long trajectories with free-energy and analysis tooling - for stability, aggregation and interface-dynamics studies of a design.
Commercial use
Commercial use OKLicence as writtenGNU Lesser General Public License v2.1
The COPYING file in the official GitLab repository is LGPL v2.1. Commercial use is permitted; distributing modified GROMACS libraries triggers LGPL source-sharing obligations.
The licence read at the source allows use by a company. Attribution or copyleft conditions may still apply — read the note.
Is commercial use free of charge?
Free for commercial useFree under LGPL-2.1. No fee; if you distribute a modified GROMACS you must release those modifications under the same terms.
Price and rights are separate: this panel is about money, the panel above is about permission.
When to use it
Reach for it for long or large production MD where throughput matters. Steeper learning curve than OpenMM and overkill for simple minimisation of design models.
Facts
- Maker
- GROMACS development team (KTH, Uppsala and others)
- Cost for commercial use
- Free for commercial use
- Category
- MD and refinement
- Compute
- Heavy GPU
- Open weights
- Yes
- Licence
- GNU Lesser General Public License v2.1
- Official site / repo
- gromacs.org
- Paper
- sciencedirect.com
- Last verified
Get told when a licence changes
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