Commonly Used Force Fields
- MM2, MM3 and MM4(N. L. Allingeret al.)
small organic molecules
http://europa.chem.uga.edu/index.html - MMFF(Merck Molecular Force Field, proposed by T. A. Halgren)
biomolecules
T.A. Halgren, J. Comput. Chem. 17, 490 (1996) - AMBER(Assisted Model Building with Energy Refinement, by P. A.
Kollmanet al.)
biomolecules
http://www.amber.ucsf.edu/amber/amber.html
- Optimized Potentials for Liquid Simulation, W. L. Jorgensen et al)
organic liquids
W. Damm, A. Frontera, J. Tirado-Rives, W.L. Jorgensen, J. Comput.Chem. 18, 1955 (1997); - CHARMM(Chemistry at HARvardMacromolecular Mechanics, by M.Karplusand coworkers)
biomolecules
http://www.charmm.org/ - ECEPP(Empirical Conformational Energy Program for Peptides, by H. A. Scheragaet al.)
biomolecules
http://www.tc.cornell.edu/Research/Biomed/CompBiologyTools/eceppak/
http://www.chem.cornell.edu/has5/ - GROMOS(GROningenMOlecularSimulation, by W. F. van Gunsterenand coworkers)
biomolecules
http://www.igc.ethz.ch/gromos/
2 Comments:
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