Groningen molecular simulation

W. F. van Gunsteren, H.J.C. Berend-sen, Groningen Molecular Simulation (CROMOS) Library Manual, Biomos, Nijenborgh 16, Groningen, The Netherlands, 1987. 

WE van Gunsteren, HJC Berendsen. GROMOS 86 Groningen Molecular Simulation Pi o-gram Package. University of Groningen, The Netherlands, 1986. 

Groningen molecular simulation system. SPC solvation model. PCMCAD for polymer/biopolymer mechanics. 

AG Groningen, The Netherlands Tel. 31-50-63-4329/4323/4320, fax 31-50-63-4200 Groningen Molecular Simulation system for batch processing. SPC solvation model. PCMCAD for polymer/biopolymer mechanics. UNIX workstations. 

W.F. van Gunsteren and H.J.C. Berendsen, GROningen MOlecular Simulation (GROMOS) package, Biomos n.v., Groningen, The Netherlands, (1987). 

GROMOS Groningen Molecular Simulation Data Base, developed at Groningen University. 

AG Groninigen, The Netherlands 31-50-63-4329/4323/4320 Groningen molecular simulation library. 

The kind of energy terms, their functional form, and how carefully (number, quality, and kind of reference data) the parameters were derived determine the quality of a force field. Accurate force fields exist for organic molecules (e.g., MM2, MM3), but more approximate force fields (e.g., with fixed bond distances) optimized for computational speed rather than accuracy [e.g., AMBER (assisted model building with energy refinement), CHARMM (chemistry at Harvard molecular mechanics), GROMOS (Groningen molecular simulation)] are the only practical choice for the treatment of large biomolecules. The type of molecular system to be smdied determines the choice of the force field. 

Dr. Wilfred F. van Gunsteren Laboratory of Physical Chemistry University of Groningen 9747 AG Groningen The Netherlands 31-50-63-4329/4320 Groningen molecular simulation system. 

Van Gunsteren, W., Fand, H. J., Berendsen, C. (1987). Groningen molecular simulation (GRO-MOS) library manual. Groningen BIOMOS. 

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