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SUMMARY:Virtual-move Parallel Tempering - Ivan Coluzza\, University of Cam
 bridge
DTSTART:20060208T150000Z
DTEND:20060208T160000Z
UID:TALK4684@talks.cam.ac.uk
CONTACT:Phil Cowans
DESCRIPTION:VMPT is a novel Monte Carlo scheme that greatly enhances the p
 ower of\nparallel-tempering simulations. In this method\, we boost the acc
 umulation of statistical\naverages by including information about all pote
 ntial parallel tempering\ntrial moves\, rather than just those trial moves
  that are accepted. As a test\, we\ncompute the free-energy landscape for 
 conformational changes in simple model\nproteins. With the new technique\,
  the sampled region of the configurational space\nin which the free-energy
  landscape could be reliably estimated\, increases by a factor\n20.
LOCATION:Ryle Seminar Room\, Cavendish Laboratory
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