Downloading and access to GROMOS
Source code
The GROMOS package for molecular simulation is available via the biomos github pages. It currently consists of two subpackages that are tightly linked together, but can largely be compiled and used a separate entities.
- GROMOS++ is a library of supporting programs for pre- and post-MD tasks. It mainly consists of programs to facilitate the setup of simulations and to analyze the trajectories that are the results of such simulations. The most recent stable release (1.6.0) is available at: https://github.com/biomos/gromosPlsPls/releases/tag/release_1_6_0.
- MD++ is the simulation engine which performs energy minimizations, stochastic and molecular dynamics simulations as well as replica exchange simulations. The most recent stable release (1.6.1) is available at: https://github.com/biomos/gromosXX/releases/tag/release_1_6_1.
Force-field files
The current version of the GROMOS force-field files can be downloaded below:
Documentation
The nine volumes of the current GROMOS manual and user guide can be downloaded below:
- Volume 1: About the GROMOS Package: Overview
- Volume 2: Algorithms and Formulae for Modelling of Molecular Systems
- Volume 3: Force Fields and Topology Data Set
- Volume 4: Data Structures and Formats
- Volume 5: Program Library Manual
- Volume 6: Technical Details
- Volume 7: Tutorial with Examples
- Volume 8: Installation Guide
- Volume 9: Index
The data that is needed to carry out the tutorial in Volume 7 is available here:
GROMOS87
The manual of the first released GROMOS87 code is available as pdf: