Re: [AMBER] Antechamber-- Creating inputs for Ammonium-Borane

From: Ravi Tripathi <abhi.rt8687.gmail.com>
Date: Wed, 28 Nov 2012 11:29:12 +0530

Thanks alot.

On Wed, Nov 28, 2012 at 11:18 AM, FyD <fyd.q4md-forcefieldtools.org> wrote:

> Dear Ravi,
>
> > I want to generate topology file for ammonium borane. When i am running
> > the antechamber command, i am getting following error -
> >
> > Running: /usr/local/amber9/exe/bondtype -i ANTECHAMBER_BOND_TYPE.AC0 -o
> > ANTECHAMBER_BOND_TYPE.AC -f ac -j full
> >
> > For atom[5]:B, the best APS is not zero, exit
> >
> > Can anybody please help me in this regard.
> > Any suggestions will be highly appreciated.
>
> You can use R.E.D. and/or R.E.D. Server at q4md-forcefieldtools.org.
>
> regards, Francois
>
>
>
>
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>



-- 
Abhi
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Received on Tue Nov 27 2012 - 22:00:04 PST
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