One option is to calculate the rdf (radial distribution function g_rdf
[-surf]) of water oxygen atoms and find the position of the first few
peaks...
Il 29/05/2012 12:28, Bala subramanian ha scritto:
Friends,
I read in many articles explaining the behaviour of water in the first
(or second etc) hydration layers around a protein. I am curious to
know if there is any way to obtain/guess the thickness of this layer.
How does one defines the thickness ?
Thanks,
Bala
--
C. Balasubramanian
--
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Andrea Coletta - PhD
Dip.to di Biologia - Stanza 326
Facoltà di Scienze - Università degli Studi di Roma "Tor Vergata"
Via della Ricerca Scientifica snc, 00133, Roma, Italia
Tel. +390672594326
Fax +39062022798
E-Mail: andrea.coletta_at_uniroma2_dot_it
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