[gmx-users] Hydrogen bonding
horsfield at fecit.co.uk
Wed Jan 30 11:57:16 CET 2002
I guess I am not supposed to answer my own question in general, but in
case anyone is following this ...
> I apologise for my ignorance! The average B factor for the non-hydrogen
> atoms is 0.181nm^2. How do I convert this into an error?
when all distances are in Angstroms
uncertainty in position = \sqrt(B / 80)
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