Hi,
But if I want to look at the correlation function for an internal motion of
a vector defined between two atoms, in that case whether the vectors are
normalized or not are matter I suppose.
Also, is it possible to monitor the dipolar correlation between two atoms of
a protein ? Its always comp
> If not how can we obtain the correlation
> function with normalized vectors using gromacs tools ?
g_rotacf gives the ACF of the angle between two vectors. It is no
difference if your vectors are unit-vectors or not.
--
Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svobo
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