CCL: Where is Spackman's geodesic derived charge implemented?



 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