Definitions

GROMOS

GROMOS

GROMOS is a force field for molecular dynamics simulation developed at the University of Groningen and the ETH Zurich.

The force field was optimized with respect to the condensed phase properties of alkanes.

GROMOS is also the name for the molecular dynamics simulation package associated with this force field.

See also

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.

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