On Tue, May 26, 2009, Workalemhu Berhanu wrote:
> Can I get an advise what to do with my molecules (it is an
> organic conjugated system which some aromatic rings) and it has a charge
> of one.
> $AMBERHOME/exe/antechamber -i N744HFC.pdb -fi pdb -o N744HFC.mol2 -fo mol2 -c bcc -s 2
If the net charge is not zero, you have to tell antechamber what it is using
the "-nc" flag.
...dac
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Received on Thu May 28 2009 - 01:08:34 PDT
