GROMOS
| GROMOS | |
|---|---|
| Developer(s) | Wilfred van Gunsteren. Philippe Hünenberger, Sereina Riniker, Chris Oostenbrink, Niels Hansen |
| Initial release | 1978 |
| Stable release | GROMOS 11 version 1.6.1
/ April 15, 2024 |
| Written in | Fortran <= 1996, C++ => 2011 |
| Operating system | Unix-like |
| Platform | x86 |
| Available in | English |
| Type | Molecular dynamics |
| License | GNU General Public License version 2 |
| Website | www |
GROningen MOlecular Simulation (GROMOS) is the name of a force field for molecular dynamics simulation, and a related computer software package, which has been developed until 1990 at the University of Groningen, and at the Computer-Aided Chemistry Group at the Laboratory for Physical Chemistry at the Swiss Federal Institute of Technology (ETH Zurich). At Groningen, Herman Berendsen was involved in its development. The development is currently a collaborative effort between the research group of Wilfred van Gunsteren, the research groups of Philippe Hünenberger and Sereina Riniker at ETH Zurich, Chris Oostenbrink at the University of Natural Resources and Life Sciences in Vienna, Austria, and Niels Hansen at the University of Stuttgart in Stuttgart, Germany.
The united atom force field was optimized with respect to the condensed phase properties of alkanes.