Re: AMBER: antechamber run on charged system

From: David A. Case <case.scripps.edu>
Date: Wed, 23 Jan 2008 10:37:06 -0800

On Wed, Jan 23, 2008, san_amber roy wrote:

> I tried to run antechamber on the system
> of total charge -1, using the command
> $AMBERHOME/exe/antechamber -i p_d.pdb -fi pdb -o p_d.prepin -fo prepi -c bcc
> -s 2 ,

Look at the "-nc" flag to antechamber.....dac

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Received on Sun Jan 27 2008 - 06:07:08 PST
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