MM vdW potential function derivation



Dear CCLers,
 	I am trying to parameterise a system for use in molecular
 mechanics/molecular dynamics/monte carlo calculations.  I have seen
 little in the literature about this (eg electron gas method,
 HF/DFT calcs for torsional angles), has anyone published a comprehensive
 review or have any very useful programs for this sort of thing?
 I will summarise any answers I get if there is an interest.
 (Please don't tell me to use the universal force-field).
 	Cheers,
 		Dave
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 Dr. David W. Price,       Tel: +44 (0)118 9875123  extn 7415
 Department of Chemistry,  Fax: +44 (0)118 9316331
 University of Reading,    mailto:d.w.price #*at*# reading.ac.uk
 Whiteknights,
 READING                http://www.chem.rdg.ac.uk/g50/mmrg/dave/dave.html
 RG6 6AD
 U.K.
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