Hi,
It should read Ang^2*(8/3)*PI^2.
Note that if you haven't already I recommend you upgrade to the latest
AmberTools version (13).
-Dan
On Mon, May 27, 2013 at 11:34 AM, George Tzotzos <gtzotzos.me.com> wrote:
> 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 - 12:30:03 PDT
