Re: [AMBER] antechamber issue with gasteiger

From: Alan <alanwilter.gmail.com>
Date: Tue, 24 Aug 2010 16:33:23 +0100

Ops, I forgot to mention before but it's not *<*, but should be *>* (greater
than).

On 18 August 2010 15:12, Jason Swails <jason.swails.gmail.com> wrote:

> if(fabs(TotalGasCharge - (double) netcharge) < 1e-6) {
> 



-- 
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
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Received on Tue Aug 24 2010 - 09:00:03 PDT
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