[gmx-users] charges

Coincon Mathieu mathieu.coincon at UMontreal.CA
Tue Apr 13 23:56:01 CEST 2004


I know that this topic is generously covered by the FAQ archives but it
looks like everyone has his own answer.
So what's the best way to determine partial charges for a new topology ?

homology with groups in ff*.rtp?
Fortune telling?

Ps:Many thanks to David Van der Spoel for your last answer.

Mathieu Coincon PhD Student
Universite De Montreal/Departement de biochimie
Pavillon Roger Gaudry Local D345
(514).343.6111 #5352

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