Charmm Force Field Parameter Files for Cholesterol and some other Sterols


Details of the parameter derivation are given in:

Zoe Cournia, Jeremy C. Smith and G. Matthias Ullmann. A Molecular Mechanics Force-Field for Biologically-Important Sterols. J. Comp. Chem., 26, 1383-1399, 2005
[PDF File] [Supporting Information]

In case you are using these parameter, please cite this paper.

Parameter Files:
  • 2.2dimethylcyclohexanol.rtf
  • 3isopropyl2methylhex2ene.rtf
  • 4methylpent2ene.rtf
  • NP.rtf
  • chol_par.inp
  • cholesterol.rtf
  • erg_par.inp
  • ergosterol.rtf
  • lan_par.inp
  • lanosterol.rtf



    • Matthias Ullmann