rams rams wrote:
Dear users,
The S2 order parameters obtained by using g_chi, are they corresponds to
the Lipari_Szabo NMR order parameters for characterizing the internal
motions?
No, they are described here:
D. van der Spoel and H.J.C. Berendsen: Molecular dynamics simulations of
Leu-Enkephalin in water and DMSO Biophys. J. 72 pp. 2032-2041 (1997)
Also it is mentioned in the manual that the obtained S2 parameter
corresponds to a dihedral and the generated plot is residue vs S2. Does
it mean that the S2 parameters are averaged on each residue ??
No, you have one values for each dihedral.
Thanks in advance.
Ram.
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Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
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