thanks,
well i don't have much time to work on that now...
have a pleasant week you all
keep the hard work going
Gal :)
> Date: Thu, 8 Sep 2011 11:39:58 -0400
> From: jason.swails.gmail.com
> To: amber.ambermd.org
> Subject: Re: [AMBER] Parameters for Boron containing molecules
>
> On Thu, Sep 8, 2011 at 8:08 AM, <gal.fradin.live.biu.ac.il> wrote:
>
> >
> >
> >
> >
> >
> >
> > From: gal.fradin.live.biu.ac.il
> > To: amber.ambermd.org
> > Subject: Parameters for Boron containing molecules
> > Date: Thu, 8 Sep 2011 14:59:01 +0300
> >
> >
> >
> >
> >
> > Hello,
> >
> > I want to use AMBER for Boron containing ligands, dose the latest AMBER
> > force-field have parameters for Boron containing molecules?
> >
> > thanks in advance,
> >
>
> No. You will have to parametrize any Boron-containing compound yourself and
> supply an frcmod file to leap.
>
> Good luck,
> Jason
>
>
> >
> >
> > Gal, BIU University
> >
> > _______________________________________________
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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
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Received on Sat Sep 10 2011 - 22:00:02 PDT
