Subject: Re: CCL:Fitting point charges to ESP with Spartan

From: "Bruce A. Luxon" <[email-masked]>
Date: Sun, 3 Nov 1996 12:28:55 -0600

Do you have a reference or some corroborating evidence for your remarks
regarding CHELPG?  Do you believe the same is true for CHELP?

Thanks,

Bruce Luxon

On Nov 3,  6:18pm, Konrad Hinsen wrote:
>
>     [stuff deleted]
>
> Moreover, CHELPG is based on a potentially unstable fitting method,
> meaning that even very small differences in the input data can cause
> significant differences in the output charges for molecules with
> some ill-defined charges.
> --
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*  Bruce A. Luxon, Ph.D                                                    *
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