CCL: Request for a code for Stone's distributed multipole analysis

[rjaeger -AatT- marvin.chem.utoronto.ca (Raimund Jaeger)]

 Hello,
 I am working on the calculation of the rotational flexibility of polymer
 backbones. I determined several torsional potentials of the backbone - bonds
 with ab initio calculations (Gaussian '92). Currently, I'm trying to describe
 the ab initio torsional potentials with van der Waals - and electrostatic
 interaction, where I use the MM2 parametrization for the vdW terms and
 electrostatic point charges derived from Mulliken's population analysis or
 natural population analysis. When I tried to fit the ab initio torsional
 potentials with vdW - and electrostatic (monopole) interactions, I got the
 impression that the results could be improved, if I include higher
 multipole momenta (dipole, quadrupole, etc.) into the electrostatic
 interaction. Stone's 'distributed multipole analysis' (DMA) calculates
 the higher electrostatic multipole momenta from the charge density obtained from
 ab initio calculations. Stone's DMA seems to implemented in some ab initio
 packages, but I didn't come across a code which has an interface to the
 Gaussian '92 package. Therefore my questions:
 - Does anyone has some experience with modeling non bonded interactions with
 electrostatic interactions including higher multipole momenta (derived from
 ab initio results)?
 - Does anyone know about a program which can use Gaussian '92 results as input
 for a distributed multipole analysis?
 Thanks, R. Jaeger.
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 R. Jaeger                                phone: (416) 978 1697
 Chemistry Dept., University of Toronto   fax :  (416) 978 8775
 80 St. George St.                        e-mail: rjaeger -AatT-
 marvin.chem.utoronto.ca
 Toronto, Ont. M5S 1A1
 Canada
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