On Thu, Sep 8, 2011 at 8:08 AM, <gal.fradin.live.biu.ac.il> wrote:
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> 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
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> Hello,
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> I want to use AMBER for Boron containing ligands, dose the latest AMBER
> force-field have parameters for Boron containing molecules?
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> thanks in advance,
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No. You will have to parametrize any Boron-containing compound yourself and
supply an frcmod file to leap.
Good luck,
Jason
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> Gal, BIU University
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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Sep 08 2011 - 09:00:04 PDT
