CHARMm is the most widely used and validated computational engine in molecular modeling. CHARMm provides full molecular mechanics and dynamics simulation via the QUANTA interface. CHARMm employs the most extensive conformational search methods, both stochastic and exhaustive. All these are completely detached from interface.
Free Energy Perturbation methods (FEP) are incorporated into CHARMm together with a host of additional functionality. CHARMm also has an associated set of comprehensive parameters.
Steve Herbert
Vice President, Marketing Molecular Simulations, Inc. 16 New England Executive Park Burlington, MA 01803-5297 USA 617-229-9800 fax:617-229-9899 sherbert@msi.com