Dear Ye,
> Is there anyone who knows how to assign radii parameters to certain atoms
> when fitting RESP charge using antechamber? It seems that there is no
> default radius parameter for Cu atom.
Antechamber does not deal with metals.
You can use R.E.D. which automatically handles metal radii.
See R.E.D., R.E.D. Server, R.E.DD.B. & tutorials
.
http://q4md-forcefieldtools.org/
regards, Francois
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Received on Wed May 20 2009 - 14:11:51 PDT
