> In one of the literature, (Biophysical Journal 87(5) 2976-2989), they used equation as below:
> C_2(t) = 1/2 < 3(u(t)-u(0))^2 - 1>, where the "u" is the unit vector.
The "u(t)-u(0)" term should be instead "u(t).u(0)" for vectorial dot
product. And yes, (cp)ptraj uses unit vectors to compute this type of
correlation functions.
George
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Received on Thu Feb 13 2014 - 07:00:03 PST
