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:
> 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?
-- ======================================================================= 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 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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