GROMOS
From Wikipedia, the free encyclopedia
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]
This article may be too technical for most readers to understand. (November 2012) |
Quick Facts Developer(s), Initial release ...
Developer(s) | Wilfred van Gunsteren. Philippe Hünenberger, Sereina Riniker, Chris Oostenbrink |
---|---|
Initial release | 1978; 46 years ago (1978) |
Stable release | GROMOS 11 v1.5.0
/ January 2021; 3 years ago (2021-01) |
Written in | Fortran <= 1996, C++ => 2011 |
Operating system | Unix-like |
Platform | x86 |
Available in | English |
Type | Molecular dynamics |
License | Proprietary |
Website | www |
Close
The united atom force field was optimized with respect to the condensed phase properties of alkanes.