[gmx-users] HB analysis at surfaces
fileti at gmail.com
Fri Jan 27 17:18:44 CET 2017
I'm interested in calculating distributions of O...H pairs between water
and a hydrophilic surface. For this I need a tool that allows the
calculation of a "g(z)" (that is, a rdf that is not radial, but rather
depends only on the distance z to the surface).
Anyone have this tool ready? If not, can anyone suggest me how and which
gmx tool I could change to achieve this?
Eudes Eterno Fileti
Instituto de Ciência e Tecnologia da UNIFESP
Av. Cesar Lattes, 1201, Eugênio de Mello, SP, 12247-014
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