AMBER Archive (2009)

Subject: Re: [AMBER] how to assign radii parameters to certain atoms when fitting RESP charge using antechamber

From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Sat May 02 2009 - 11:06:28 CDT

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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