On Fri, 16 Sep 2016 22:55:50 +0430
shahab shariati <shahab.shariati.gmail.com> wrote:
> But I have another problem about my another ligand, Paclitaxel(taxol).
>
> I used 2 following command in AMBERTOOLS 14:
>
> $AMBERHOME/bin/antechamber -i lig.pdb -fi pdb -o lig.mol2 -fo mol2 -c
> bcc -s 2
You should have received a warning here which you should not have
ignored. What the warning essentially says is that antechamber is
unable to assign all bond types. This is most likely because of
problems in your input structure. A quick look suggests to me that the
two hydrogens seemingly attached to one of the carbons in the cyclohexen
ring shouldn't be there.
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Received on Fri Sep 16 2016 - 12:30:03 PDT
