Amber topology in CUDA NAMD - can it be done?

From: Benjamin Bouvier (benjamin.bouvier_at_ibcp.fr)
Date: Tue Oct 19 2010 - 07:27:48 CDT

Hi all,

Can the current CUDA NAMD implementation be used with an Amber topology?
I've tried topologies for very different systems (with the latest
CUDA-NAMD nightly) and systematically ended up with "CUDA-accelerated NAMD
does not support NBFIX terms in parameter file". Is this inherent to
NAMD's internal treatment of Amber topologies, or is there some kind of
workaround?

Sorry to bring the question up again -- I've seen a few similar queries on
this list, but (AFAIK) none with a clear answer as to whether something
can be done...

Thanks,

-- 
Benjamin Bouvier

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