I'm working with Insight/Discover and using AMBER to model DNA-metal adducts. One of the metal compounds I hope to minimize has an ester ligand and AMBER does not have the adequate parameters (regarding the C-OS-CT portion, an additional oxygen atom type seems necessary). I'm familiar with adding atom types to AMBER, but have not been able to track down those specifically for esters. Are they available? Any leads are appreciated. Cheers, John Cox John W. Cox Department of Chemistry Virginia Commonwealth University (804) 828-0276 che5jwc@titan.vcu.edu chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)