[gmx-users] Tools for axial symmetry

[Eudes Fileti]

Dear colleagues
I have made simulation of infinite nanotubes in solvent environment.
However I can not use the usual tools of the GROMACS to analyze my
simulation
(as g_rdf, trajorder, etc) due to axial symmetry (cylindrical).

Problem that I need to solve are the calculation of rdf
(taking as reference the axis of the nanotube, not the COM)
and also the analysis of the number of molecules into the first solvation
shell.

Have anybody some suggestion of standalone program or GROMACS tools for help
me?

Thanks
eef
-- 
_______________________________________
Eudes Eterno Fileti
Centro de Ciência Naturais e Humanas
Universidade Federal do ABC
Rua Catequese, 242 - 3º Andar
09090-400  Santo André - SP Brasil
Tel: +55 11 4437-1600 ramal 408
skype: eefileti
http://cromo.ufabc.edu.br/~fileti/
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