[gmx-users] scattering vector analysis

Rajalakshmi.C ch11d029 at smail.iitm.ac.in
Thu Feb 14 07:30:26 CET 2013

hi all,
i have done scattering function analysis using g_rdf command for
polymer-solvent system. i got the plot of scattering vector q(1/nm) vs
intensity .now i want to convert the scattering vector (q) value in to
distance i.e. 'd' the fundamental polymer books have the relation for light
scattering, that relation is lamda= 2*d*sin(theta). this theta value can be
obtained from q.can anybody tell, what type of scattering gromacs use to
calculate q . and what is the relation to convert scattering vector q to
distance d for that particular scattering type which gromacs using

thanks in advance.

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