[gmx-users] rdf calculation for wormlike micelles

Esra Kaçar esrakacar at iyte.edu.tr
Wed Mar 14 10:01:29 CET 2018

Dear all,

I am working on a wormlike micelle that has a curved structure. I want to
calculate the radial distribution functions of constituent molecules with
respect to the backbone (the line following the micelle length and
represents the center of the curved cylindrical structure) of the wormlike
micelle. Since the structure is curved, I couldn’t find out how to select
the backbone as a reference point in g_rdf. I am using Gromacs v 5.1.  Any
suggestions would be appreciated.



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