Hide navigation sidebar

Hide table of contents sidebar

Skip to content

Toggle site navigation sidebar

GROMACS 2026.0-dev-20241106-9ba7f4d documentation

Toggle table of contents sidebar

Downloads
Release notes
Toggle navigation of Release notes
Installation guide
Toggle navigation of Installation guide
- Installation guide for exotic configurations
User guide
Toggle navigation of User guide
- Known issues affecting users of GROMACS
- Getting started
  Toggle navigation of Getting started
  - Flow Chart
- System preparation
  Toggle navigation of System preparation
- Managing long simulations
- Answers to frequently asked questions (FAQs)
  Toggle navigation of Answers to frequently asked questions (FAQs)
- Force fields in GROMACS
- Molecular dynamics parameters (.mdp options)
- Useful mdrun features
- Getting good performance from mdrun
- Common errors when using GROMACS
- Command-line reference
  Toggle navigation of Command-line reference
- Terminology
- Environment Variables
- Floating point arithmetic
- Security when using GROMACS
- Policy for deprecating GROMACS functionality
Short How-To guides
Toggle navigation of Short How-To guides
Reference Manual
Toggle navigation of Reference Manual
- Preface and Disclaimer
- Introduction
- Definitions and Units
- Algorithms
  Toggle navigation of Algorithms
- Interaction function and force fields
  Toggle navigation of Interaction function and force fields
- Topologies
  Toggle navigation of Topologies
- File formats
- Special Topics
  Toggle navigation of Special Topics
- Run parameters and Programs
- Analysis
  Toggle navigation of Analysis
- Some implementation details
- Averages and fluctuations
- Bibliography
gmxapi Python package
Toggle navigation of gmxapi Python package
(Non-)Bonded LIBrary (NB-LIB) API
Toggle navigation of (Non-)Bonded LIBrary (NB-LIB) API
- Guide to Writing MD Programs
C++ API
Toggle navigation of C++ API
- Public C++ API
Developer Guide
Toggle navigation of Developer Guide
- Contribute to GROMACS
- Codebase overview
- Build system overview
- Change Management
- Relocatable binaries
- Documentation generation
- Style guidelines
  Toggle navigation of Style guidelines
- Development-time tools
  Toggle navigation of Development-time tools
  - Using Doxygen
  - Change Management
  - Automation and Infrastructure
    Toggle navigation of Automation and Infrastructure
    - GitLab CI Pipeline Execution
  - Source tree checker scripts
  - Automatic source code formatting
  - Unit testing
  - Physical validation
- Known issues relevant for developers
Doxygen documentation

Back to top

View this page

Edit this page

Toggle table of contents sidebar

Performance improvements¶

Made with Sphinx and @pradyunsg's Furo