From owner-chemistry@ccl.net Tue May 19 00:09:01 2015
From: "Salter-Duke, Brian James - brian.james.duke]^[gmail.com" <owner-chemistry#,#server.ccl.net>
To: CCL
Subject: CCL: Where is Spackman's geodesic derived charge implemented?
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X-Original-From: "Salter-Duke, Brian James -" <brian.james.duke-*-gmail.com>
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Date: Tue, 19 May 2015 14:07:51 +1000
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Sent to CCL by: "Salter-Duke, Brian James -" [brian.james.duke. . .gmail.com]
I think you will find it is also in GAMESS-US, where Spackman originally added
his code, but I have no experience with it.

Brian.

On Mon, May 18, 2015 at 09:05:27PM -0300, André Farias de Moura moura(_)ufscar.br wrote:
> Hi Italo,
> 
> You can find it implemented in Firefly (formely PC-Gamess).
> 
> best
> 
> Andre
> 
> On Mon, May 18, 2015 at 7:30 PM, Italo Anjos italocurvelo#,#gmail.com <
> owner-chemistry*ccl.net> wrote:
> 
> > Hi all,
> >
> > I would like to calculate point derived charges from the electrostatic
> > potential using Spackman's geodesic algorithm but I couldn't find in which
> > programs the method is implemented.
> >
> > Could anyone point me in the right direction?
> >
> > I appreciate any help.
> >
> > Italo Curvelo
> >
> 
> 
> 
> -- 
> _____________
> 
> Prof. Dr. André Farias de Moura
> Department of Chemistry
> Federal University of São Carlos
> São Carlos - Brazil
> phone: +55-16-3351-8090

-- 
   Brian Salter-Duke (Brian Duke)   Brian.Salter-Duke . monash.edu
                    Adjunct Associate Professor
            Monash Institute of Pharmaceutical Sciences
      Monash University Parkville Campus, VIC 3052, Australia