I have a deprotonated hydroxyl group (O-). Is it better to treat antechamber
with the -m and -nc flags, or just place the hydrogens for antechamber
purposes?
with a O-, charge would be -1, and m would be 2 or 3?
David
On Thu, Jun 30, 2011 at 8:25 PM, case <case.biomaps.rutgers.edu> wrote:
> On Thu, Jun 30, 2011, David Cantu wrote:
> >
> > If a molecule has a charge (-1), can antechamber treat it correctly?
>
> Antechamber can only handle closed-shell molecules directly, but they can
> have an arbitrary total charge (see the -nc flag).
>
> ...dac
>
>
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Received on Thu Jun 30 2011 - 20:00:03 PDT
