General information about GROMOSXX

GROMOS is a molecular dynamics program

GROMOS is an acronym of the GROningen MOlecular Simulation computer program package, which has been developed since 1978 for the dynamic modelling of (bio)molecules, until 1990 at the University of Groningen, The Netherlands, and since then at the ETH, the Swiss Federal Institute of Technology, in Zürich, Switzerland. Its development was driven by the research group of Wilfred van Gunsteren. Currently, the development is shared between him and the research groups of Philippe Hünenberger and Sereina Riniker at the ETH, of Chris Oostenbrink at the University of Natural Resources and Life Sciences in Vienna, Austria, and of Niels Hansen at the University of Stuttgart, Stuttgart, Germany.

Since the last official release of the GROMOS software and manual in 1996, called GROMOS96, no comprehensive release occurred till 2011. Yet the GROMOS software has seen a steady development since 1996, see e.g. [1]. The programming language has been changed from FORTRAN to C++, the documentation has been put into electronic form, and many new features have been included in the software.

To the development of the GROMOS software (since 1978) members of the research groups of Wilfred van Gunsteren (Groningen, Zürich), Philippe Hünenberger (Zürich), Chris Oostenbrink (Vienna), Niels Hansen (Stuttgart) and Sereina Riniker (Zürich) have contributed.

The GROMOS software is to be distinguished from the GROMOS force fields for biomolecular systems, of which the latest versions are coded as:

Disclaimer

PDC takes no responsibility for the correctness of results produced with the binaries. Always evaluate the binaries against known results for the systems and properties you are investigating before using the binaries for production jobs.

Installed software

Cluster
How to use
How to build
Dardel
1.6.0-OMP
1.6.0-OMP