[gmx-users] g_rdf problem
fdmm1989 at gmail.com
Mon Jul 27 15:49:20 CEST 2015
I used g_rdf to calculate the RDF and sometimes I got a strange curve in
which the RDF increase slowly from 0 to 1 and no peak appears.
According to my knowledge, it's opposite to the definition of RDF cause the
RDF is the rate of density at certain r by the average density, so the
integration of the function divided by the range of domain should be 1.
While for a RDF which is less than 1 in most of its domain the final
average of the function value should be less than 1.
I wonder why this is so? Or maybe I think wrongly for the definition of RDF?
Mr. Meng Zhenyu
Division of Chemistry and Biological Chemistry
School of Physical and Mathematical Sciences
Nanyang Technological University
More information about the gromacs.org_gmx-users