Re: NAMD and CFF forcefields

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sat Mar 28 2009 - 15:20:58 CDT

On Sat, Mar 28, 2009 at 2:22 PM, C. Denise Enekwa <ccdenisee_at_yahoo.com> wrote:
> Hello,
>
> I desperately need to know how to integrate CFF91 forcefield parameters into
> the format that NAMD recognizes. Can someone help with this??
denise,

have you checked whether NAMD supports the required functional forms?
i would doubt it. thus it would be not only a matter of converting parameters,
but implementing the corresponding potentials as well.

is there are specific reason that you need to use NAMD?

cheers,
   axel.

>
> Thanks!
>
>

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
  Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
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