From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Wed May 13 2009 - 17:52:30 CDT
On Wed, 2009-05-13 at 18:00 -0400, Roman Petrenko wrote:
> By the way, is fep implemented in cuda-version of namd?
NAMD currently puts only the most time consuming part of the
calculation on the GPU (non-bonded forces) so the rest should
just work as is without any special requirements.
-- ======================================================================= 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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