[gmx-users] hydration layers around protein

[Andrea Coletta]

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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