Deriving force field parameters for coordination complexes

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