[gmx-users] RDF

mah maz mahmaz71 at gmail.com
Sun May 17 11:47:04 CEST 2015

Dear all,
I want to calculate the radial distribution function of water molecules in
my system. I use g_rdf -f traj.xtc -n -o. It gives me large numbers which
is not logical I suppose. Is it meaningful if I separate oxygen and
hydrogen atoms in the index file and calculate the RDF for O-O atoms? Is
reference atom necessary to get RDF?

More information about the gromacs.org_gmx-users mailing list