Deriving force field parameters for coordination complexes

The process of deriving molecular mechanics force fields for coordination complexes is outlined. Force field basics are introduced with an emphasis on special requirements for metal complexes. The review is then focused on how to set up the initial model, define the target, refine the parameters, and validate the final force field, Alternatives to force field derivation are discussed briefly. (C) 2001 Elsevier Science B.V. All rights reserved.