At the risk of exposing my density in triangle geometry here, why does 180-DHA
= ADH?
H
/ \
D ----- A
Thank you.
-Rob
> Obviously the DHA angle in a linear Hbond is
> 180, so it should either be 180-DHA or ADH. The ADH angle is what's
> implemented in gromacs > 3.2.1, however in 3.1.4 it still was DHA. The
> default maximum angle has changed from 60 in gmx 3.1.4 (based on Kabsch
> and Sander 1983) to 30 (from 3.2.1 onwards, based on other literature).
> So my paper uses ADH, even though it says DHA.
>
> > Thank you.
> >
> > -Rob
> >
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