Hi,
I am just curious that in the MD community whether there is consensus on how to
compare calculated rmsfs and expermental b-factors in x-ray. Should we use
average value per residue or one particular atom in a residue for comparsion.
Secondly, in NMR, people minimize a number of final calculated structures with
energy minimization. Do people do the same thing when they average their
structures within a certain time period with g_rmsf or g-covar.
Thanks for your insight.
Simon Sham
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