I don't think the UFF calculation uses partial charges -- or if it does,
they are already there. It certainly does not generate its own.
On Wed, Nov 30, 2011 at 11:34 AM, Spinney, Richard <
[email protected]> wrote:
> Is it possible to assign partial atomic charges used in the UFF
> minimization so I can generate a MEP surface? If so how do I assign the
> charges to the atoms?
>
> Thanks, Rick
>
> --------------------------------------
> Dr. Richard Spinney
> The Ohio State University
> Department of Chemistry
> 144 Celeste Laboratory
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>
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>
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contains a definitive record of customers, application performance,
security threats, fraudulent activity, and more. Splunk takes this
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http://p.sf.net/sfu/splunk-novd2d
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