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Hi list,<br>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, <cite>J. Phys. Chem. B</cite>, <span class="citation_year">2006</span>, <span class="citation_volume">110</span> (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.<br><br>Thank you.<br><br>-Rob<br><br /><hr />Windows Live Messenger. <a href='http://www.microsoft.com/windows/windowslive/messenger.aspx' target='_new'>Multitasking at its finest.</a></body>
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