[gmx-users] g_rotacf

Xavier Periole X.Periole at rug.nl
Fri Sep 5 14:38:41 CEST 2008

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 ...


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