AMBER Archive (2006)

Subject: Re: AMBER: RESP charges of iron-porphyrin system

From: FyD (fyd_at_u-picardie.fr)
Date: Fri Oct 20 2006 - 00:23:14 CDT


Quoting Shin Tokumoto <stokumoto_at_tara.tsukuba.ac.jp>:

> But, as I said before, the antechamber did not work well if I used this
> output as the antechamber input.

I am not sure antechamber handles metals...
http://amber.ch.ic.ac.uk/archive/200608/0201.html

You can use R.E.D. where chemical elements up to Bromine (with radii
set up in the Gaussian or GAMESS inputs) are automatically handled.

regards, Francois

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