 | This article may be too technical for most readers to understand. (November 2012) |
| Developer(s) | Wilfred van Gunsteren. Philippe Hünenberger, Sereina Riniker, Chris Oostenbrink |
|---|---|
| Initial release | 1978 |
| Stable release | GROMOS 11 v1.5.0
/ January 2021 |
| Written in | Fortran <= 1996, C++ => 2011 |
| Operating system | Unix-like |
| Platform | x86 |
| Available in | English |
| Type | Molecular dynamics |
| License | Proprietary |
| Website | www |
GROningen MOlecular Simulation (GROMOS) is the name of a force field for molecular dynamics simulation, and a related computer software package. Both are developed at the University of Groningen, and at the Computer-Aided Chemistry Group[1] at the Laboratory for Physical Chemistry[2] at the Swiss Federal Institute of Technology (ETH Zurich). At Groningen, Herman Berendsen was involved in its development.[3]
The united atom force field was optimized with respect to the condensed phase properties of alkanes.
- ^ Computer-Aided Chemistry Group, ETH Zurich
- ^ Laboratory for Physical Chemistry, ETH Zurich
- ^ "Berni J. Alder CECAM Prize". Centre européen de calcul atomique et moléculaire. Archived from the original on 13 April 2016. Retrieved 25 April 2016.