Welcome to the GROMACS documentation!¶
The complete documentation is also available as a printable PDF here.
- Downloads
- Release notes
- Installation guide
- User guide
- Getting started
- System preparation
- Managing long simulations
- Answers to frequently asked questions (FAQs)
- Force fields in GROMACS
- Non-bonded cut-off schemes
- Command-line reference
- Molecular dynamics parameters (.mdp options)
- Useful mdrun features
- Getting good performance from
mdrun - Common errors when using GROMACS
- Command-line reference
- Terminology
- Environment Variables
- Floating point arithmetic
- Policy for deprecating GROMACS functionality
- Short How-To guides
- Beginners
- Adding a Residue to a Force Field
- Water solvation
- Non water solvent
- Mixed solvent
- Making Disulfide Bonds
- Running membrane simulations in GROMACS
- Parameterization of novel molecules
- Potential of Mean Force
- Single-Point Energy
- Carbon Nanotube
- Visualization Software
- Extracting Trajectory Information
- External tools to perform trajectory analysis
- Plotting Data
- Micelle Clustering
- Reference Manual
- Developer Guide
- Doxygen documentation