[gmx-users] g_rotacf

[Xavier Periole]

One thing I totally forgot to mention is that you can not access the
overall rotational motion of the protein using the NH vectors!
These would contain both internal and overall motion.

Have a look at papers from Lipari and Szabo JACS-1982 for the initial model
and from Bruschweiler Current Opinion in Structural Biology 2003, 13:175–183

in which you'll find more references ...

XAvier.