Hi list,
What's the geometric relation b/w the commonly used Donor-H-Acceptor angle and
the gromacs implementation of Acceptor-Donor-H angle? I guess I don't quite
follow why it's valid to define the ADH cutoff as 30 degrees, the same angle
most commonly used to define DHA, which suggests ADH==DHA?! Even the van der
Spoel, J. Phys. Chem. B, 2006, 110 (9), pp 4393–4398 paper used the DHA<=30
degrees definition. I must be missing something, and after hours of drawing
triangles any help would be welcome.
Thank you.
-Rob
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