Re: NAMD and CFF forcefields

From: Axel Kohlmeyer (
Date: Sat Mar 28 2009 - 15:20:58 CDT

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

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?


> Thanks!

Axel Kohlmeyer
  Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.

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