[gmx-users] Discrete structure factor from g_rdf

comcon1 at erg.biophys.msu.ru comcon1 at erg.biophys.msu.ru
Wed Jun 2 09:37:50 CEST 2010

I'm trying to repeat some X-ray diffraction analysis on lipid bilayers
according to the article:

http://dx.doi.org/10.1529/biophysj.104.046821 (it's free)

I have several corrected OPLS all-atom bilayer models and I need to
validate my model according to experimental x-ray diffraction data. But I
can't understand, how '-sq' property of g_rdf can helps me to compute
structure factor.. May be anybody have some experience in this theme?

More information about the gromacs.org_gmx-users mailing list