GROMOS

GROMOS is a force field for molecular dynamics simulation developed at the University of Groningen and the ETH Zurich. GROMOS is also the name for the molecular dynamics simulation package associated with this force field.

The GROMOS force field is a united atom rather than all-atom force field, which means that methyl groups are lumped together as one 'atom'. The force field was optimized with respect to the condensed phase properties of alkanes. The most widely used versions are GROMOS85 (37C4) and GROMOS96 (43A1, 43A2, 45A3).

External links

GROMOS website
van Gunsteren, W. F.; Billeter, S. R.; Eising, A. A.; Hünenberger, P. H.; Krüger, P.; Mark, A. E.; Scott, W. R. P.; Tironi, I. G. Biomolecular Simulation: The GROMOS96 Manual and User Guide; vdf Hochschulverlag AG an der ETH Zürich and BIOMOS b.v.: Zürich, Groningen, 1996.
An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase. Journal of Computational Chemistry 22 (11), August 2001,1205-1218 by Lukas D. Schuler, Xavier Daura, Wilfred F. van Gunsteren.

The actual descriptive text portion of the article above (and its Contents menu) are licensed under the GNU Free Documentation License then in effect published by the Free Software Foundation. The text article uses material from http://en.wikipedia.org/wiki/GROMOS (retrieval date: 2007-05-27) and is provided "as-is" and without warranty. Permission is granted to copy, distribute and/or modify only the actual descriptive text portion of the article above (and its Contents Box) under the GNU Free Documentation License. A copy of the license is available at: http://en.wikipedia.org/wiki/Wikipedia:Text_of_the_GNU_Free_Documentation_License. Any advertisements (or active links not embedded in the actual article) and the layout or selection thereof are excluded from such license.
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