CCL:Summary:CHELP,CHELPG, and MERZ-Kollman

[ep7 - at - dent.okayama-u.ac.jp (正村)]

 Dear Sir:
         Thank you for your replay:
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 From: "Andrey Bliznyuk" <e950830 - at - anu.edu.au>
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 To: ep7 - at - dent.okayama-u.ac.jp
 Date: Tue, 4 Aug 1998 14:31:55 +0010
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 Subject: Re: CCL:CHELP,CHELPG,MERZ-MOLLMAN
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 Hi,
 >         What is the aim of CHELP,CHELPG and MERZ-KOLLMAN, etc. ?
 >
 > (1) The determination of atomic charge for molecules itself ?
 > (2) the determination of charge for the electrostatic interaction
 > beteen molecules ?
 > (3) others.
 The CHELP and others are different methods to find atom centered
 point charges which would reproduce the electrostatic potential of
 the molecule. The difference between these methods is in the
 selection of points where the electrostatic potential is computed.
 The charges thus determined are usually used for the calculations of
 the electrostatic interactions between molecules.
 Andrey