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- Welcome to GROMACS — GROMACS webpage https: www. gromacs. org documentation
Welcome to GROMACS ¶ A free and open-source software suite for high-performance molecular dynamics and output analysis New to GROMACS: Try the introduction tutorial Watch a webinar on GROMACS Watch the current GROMACS release webinar Download the current GROMACS version here Have a look at documentation page to know more how to install and use GROMACS Do you have any questions, have a
- Welcome to the GROMACS documentation!
Two versions of GROMACS are under active maintenance, the 2022 series and the 2021 series In the latter, only highly conservative fixes will be made, and only to address issues that affect scientific correctness
- GROMACS 2026. 1 documentation
Downloads Release notes Installation guide User guide Short How-To guides Reference Manual gmxapi Python package (Non-)Bonded LIBrary (NB-LIB) API C++ API Developer Guide Doxygen documentation
- Welcome to the GROMACS tutorials!
GROMACS tutorial suite: from basic to advanced applications Available tutorials ¶ Introduction to Molecular Dynamics Introduction to Membrane-Protein Simulation Umbrella sampling Free energy of solvation Potential of mean force using AWH method Free energy of solvation using AWH method Density-fit simulation
- About GROMACS — GROMACS webpage https: www. gromacs. org documentation
About GROMACS ¶ GROMACS is a versatile package to perform molecular dynamics, i e simulate the Newtonian equations of motion for systems with hundreds to millions of particles and is a community-driven project
- User guide - GROMACS 2026. 1 documentation
User guide ¶ This guide provides material introducing GROMACS practical advice for making effective use of GROMACS For getting, building and installing GROMACS, see the Installation guide For background on algorithms and implementations, see the reference manual part of the documentation
- Introduction to Molecular Dynamics — GROMACS tutorials https . . .
Introduction to Molecular Dynamics ¶ Here we learn step-by-step how to run a molecular dynamics simulation of a small protein in water solution using GROMACS We will go through both how to set up the input files, as well as how to set up energy minimization and simulations at constant temperature and at constant pressure
- Getting started - GROMACS 2026. 1 documentation
Important files ¶ Here is an overview of the most important GROMACS file types that you will encounter Molecular Topology file ( top) ¶ The molecular topology file is generated by the program gmx pdb2gmx gmx pdb2gmx translates a pdb structure file of any peptide or protein to a molecular topology file
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