[gmx-users] lifetime between pairs of vectors

[Jian Dai]

Hi, GROMACS users:
I'm trying to calculate the lifetime distribution between pairs of vectors.
The problem can be simplified as: there are many vectors in any one frame of
a MD trajectory, and when one vector is within a cutoff distance with
another vector, and their angle is larger than a cutoff angle, they're
deemed as a pair. Some pairs may break and reform in a short time and should
be considered something like "interrupted HB" as David van der Spoel has
discussed.
This is quite like the calculation of hydrogen bond lifetime, but I haven't
figured it out.
Thank you in advance.

DJ
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