[gmx-users] question about g_rdf

[Yuhua Song]

Hi, All:

When I use g_rdf  to calculate the radial distribution function of one Index
group ( that has 4 or 5 atoms) reference to one ion. I am wondering that the
results of RDF for the Index group ( 4 or 5 atoms one) is got from the
average of the RDF of every atom of the index group member or for the center
of the index group? if it is the center of the index group, geomety center
or ? By the way, when I use the g_rdf tool, I did not choose the "-com "
opition.

Thanks,


Yuhua