# Partial Charges

**URL:** <https://discuss.avogadro.cc/t/partial-charges/248>\
**Category:** General Discussion\
**Created:** [May 4, 2012, 2:23am UTC](https://discuss.avogadro.cc/t/partial-charges/248 "2012-05-04T02:23:44Z")\
**Posts on this page:** 2\
**Page:** 1

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**Author:** ![John\_Doe](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/john_doe/32/119_2.png) [@John\_Doe](https://discuss.avogadro.cc/u/John_Doe)\
**Post date:** [May 4, 2012, 2:23am UTC](https://discuss.avogadro.cc/t/partial-charges/248/1 "2012-05-04T02:23:44Z")

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Hello All,

How are partial charges calculated when selected from atom properties? Are they Gasteiger-Marsili charges?

Thanks.

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**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\
**Post date:** [May 4, 2012, 2:43am UTC](https://discuss.avogadro.cc/t/partial-charges/248/2 "2012-05-04T02:43:51Z")

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> How are partial charges calculated when selected from atom properties? Are they Gasteiger-Marsili charges?

Yes. We’ve discussed adding an option to select different charge models, but for now the default is Gasteiger-Marsili sigma charges.

Hope that helps,  
-Geoff

* * *

Prof. Geoffrey Hutchison  
Department of Chemistry  
University of Pittsburgh  
tel: (412) 648-0492  
email: [geoff.hutchison@gmail.com](mailto:geoff.hutchison@gmail.com)  
web: [http://hutchison.chem.pitt.edu/](http://hutchison.chem.pitt.edu/)
