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

[André Farias de Moura <moura : ufscar.br>]

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#,#http://gmail.com">gmail.com <owner-chemistry*o*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

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Prof. Dr. André Farias de Moura
Department of Chemistry
Federal University of São Carlos
São Carlos - Brazil
phone: +55-16-3351-8090