Topology and parameters for small organic molecules compatible with the CHARMM all atoms force field, for use with CHARMM and GROMACS
SwissParam is a webserver that provides topology and parameters for small organic molecules. These parameters are intended for drug design type calculations, such as docking, minimizations, rapid binding energy estimation (LIECE), etc.
V. Zoete, M. A. Cuendet, A. Grosdidier, O. Michielin, SwissParam, a Fast Force Field Generation Tool For Small Organic Molecules, J. Comput. Chem, 2011, 32(11), 2359-68. PMID: 21541964, DOI: 10.1002/jcc.21816.
SwissParam
is developed and copyrighted by SIB Swiss Institute of Bioinformatics and its
exclusive commercial representative GeneBio.
Access is free for non-commercial use. Access by commercial entities is subject to the licensing conditions outlined in the GeneBio License
Agreement (PDF).
Please contact us for further details.