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Parameters

Classical

The Carbohydrate Solution Force Field (CSFF)
Citation:
M. Kuttel and J. W. Brady and K. J. Naidoo. “Carbohydrate Solution Simulations: Producing a Force Field with Experimentally Consistent Primary Alcohol Rotational Frequencies and Populations”, J. Comput. Chem. 2002, 23, 1236-1243.

Find the Topology and Parameter Files at https://bitbucket.org/scientificomputing/csff

The Metal Solution Force Field (MSFF)
Citation:
Richard P. Matthews and Kevin J. Naidoo. “Experimentally Consistent Ion Association Predicted for Metal Solutions from Free Energy Simulations”, J. Phys. Chem. B. 2010, 114(21), 7286-7293.

Find the example CHARMM input, topology and parameters at https://bitbucket.org/scientificomputing/msff

CHARMM Ferriheme Force Field
Citation:
D. Kuter, V Streltzov, N Davydova, GA Venter, KJ Naidoo and TJ Egan. “Molecular Structures and Solvation of Free Monomeric and Dimeric Ferriheme in Aqueous Solution: Insights from Molecular Dynamics Simulations and Extended X-ray Absorption Fine Structure Spectroscopy”, Inorg. Chem., 2014 Oct.

Find the example CHARMM input, topology and parameters at https://bitbucket.org/scientificomputing/ferriheme

Quantum

SCRU has parameterised semi-empirical quantum force fields in order to improve their behaviour for chemical glycobiology. These new parameter sets are called AM1d-CB1, AM1*-CB1.
For information on the molecular sets and protocols used in the parameterisation can be found in the following paper : (paper still under review, to be updated shortly)

The parameter sets are available at https://bitbucket.org/scientificomputing/am1dcb1