That may have been the case; I'm running it again and I'll get back to you.
Erin
On Wed, Jul 13, 2011 at 4:58 PM, case <case.biomaps.rutgers.edu> wrote:
> On Wed, Jul 13, 2011, Erin Kelly wrote:
>
> > Apparently the structure looks fine in Pymol--I ran the file through
> > antechamber and it produced a mol2 file in about 1 second but produced no
> > sqm.in or sqm.out, is this correct? I've attached the mol2.
>
> My guess(?) is that you used the wrong arguments to antechamber, perhaps
> writing "-bcc" when you meant "-c bcc". If you correctly ask for bcc
> charges,
> it should tell you it is running sqm, and take some minutes to complete.
>
> ....dac
>
>
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Received on Wed Jul 13 2011 - 15:30:04 PDT
