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![[Figure 1]](rr5132fig1mag.jpg)
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Figure 1
Comparison of the matrices UTLS calculated for an atomic model analytically (see the text for details) and the matrices calculated from the ensemble models (Uensemble) as a function of the number of models generated. The mean relative difference between the elements of the two sets of matrices is defined as ![[{\big({\textstyle\sum_n {\big| {|{U_{TLS}}| + | {U_{\rm ensemble}} |} \big|} }\big)^{ - 1}}]](teximages/rr5132fi21.gif) ![[\times\ \big({2\textstyle\sum_n {| {U_{TLS} - U_{\rm ensemble}} |}}\big)]](teximages/rr5132fi22.gif) where the sums are calculated over all atoms and over all six elements of each pair of U matrices. |
![[Figure 1]](rr5132fig1.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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