You need to set the net charge to 1.
antechamber -nc 1 -i sam.pdb -fi pdb -o sam.prepin -fo prepi -c bcc -s 2
WH
On Tue, 2008-11-25 at 00:19 +0800, Jeffrey wrote:
> SAM 1 65.189 37.134 19.013 1.00 16.71
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Received on Fri Dec 05 2008 - 16:35:01 PST
