AMBER Archive (2009)
Subject: Re: [AMBER] antechamber execution
From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Tue Aug 18 2009 - 18:59:40 CDT
> I have generated the electrostatic potential of a metal
> cluster using gaussian 03.Single point calculation were done without
> geometry optimization. I want calculate RESP charges. I am using
> the antechember programm with the command-
> ./antecahmber -fi gout -fo prepi -c resp -i br.out -o res.in -rn RES
> -at amber.
> but I am getting an error stating
> For atom  ; FE1, the best APS is not zero, bonds involved by
> this atom are frozen.
Antechamber handles organic molecules.
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