Re: AMBER: RESP using antechamber

From: Barbault Florent <florent.barbault.paris7.jussieu.fr>
Date: Sat, 22 Dec 2007 21:13:31 +0100

Hello,

There is no problem to use this command. I do it usually but,
generally, I add the command -rn LIG to give a name for the unit (it's
useful when you combine several units).
Regards... and Happy Christmas for everyone.
Florent Barbault


On Sat, 22 Dec 2007 13:21:07 -0600
  "snoze pa" <snoze.pa.gmail.com> wrote:
> Dear Antechamber users,
>
> I am trying to calculate the RESP charges from calculated gaussian
>output.
> Can I use the following command to get the RESP charges
>
> antechamber i gaussian.log fi gout o gaussian_resp.mol2 -fo mol2
>c resp
>
> Thanks in advance
> s

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Received on Sun Dec 23 2007 - 06:07:45 PST
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