[gmx-users] radial distribution function

kordzadeh at aut.ac.ir kordzadeh at aut.ac.ir
Sat Jun 30 18:15:27 CEST 2018


​Hi all
when we calculate RDF, we have g(r) versus radius, please tell me, what is this radius, is it the distance between center of mass of two component or is it the radius of a sphere that is consider for probability of finding molecules,
what is difference between -com and -xy?
if I want to calculate RDF from axis of CNT, should I use -xy option?
any suggestion will be appreciated
Regards
Azadeh

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