David van der Spoel
spoel at xray.bmc.uu.se
Mon Feb 27 09:30:22 CET 2006
petrucci86 at vip.sina.com wrote:
> Dear all users :
> I was testing REMD swap probability with gmx3.3 a few days.
> Something make me confused : if it\'s successful to exchange properties of system between two temperatures ,
> and there should be a "X" between them, like this: 2 X 3
> but what is the meaning of " repl pr " ?
> i noticed that when "X" symbol appearing , most of the value of " repl pr" appoarch 1.0.
> But in some cases, the value is about 0.2-0.3, also the "X" symbol appears.
This is the metropolis criterion in action.
pr means probability.
> So i don\'t really catch the point about the meaning of this value, and how does it calculate ?
> thanks for any reply.
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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