I'm quoting from the AmberTools 1.5 Manual p. 114
If the keyword “bfactor” is specified, the data is output as B-factors rather than atomic positional fluctuations (which simply means multiplying the squared fluctuations by 8/3 π2). The data is dumped into two columns (n and value) where n goes from 1 to the number of atoms or groups specified and the value is the appropriate RMSF (Å) or B-factor (Å2 × 8/3 π ).
My question is whether B-factor units are given in Å2 × (8/3 π) or Å2 × (8/3 π2)?
Regards
George
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Received on Mon May 27 2013 - 11:00:03 PDT
