Re: CCL:MM vdW potential function derivation



 You will want to take a look at:
 Norrby, P.-O.; Liljefors, T. J. Comp. Chem. (1998) 19,10 1146-1166
 There is quite a lot in there about force field development.
 Cheers,
 Dr. David Power
 Department of Chemistry
 University of North Texas
 NT Station, Box 305070
 Denton, TX 76203-5070
 USA
 tdp0006 $#at#$ unt.edu
 On Wed, 22 Mar 2000, Dave Price wrote:
 > 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
 >
 > --
 > ------------------------------------------------------------------------
 >
 > 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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