[gmx-users] RDF convergence
das.sudip37 at gmail.com
Fri Dec 4 10:14:14 CET 2015
I am using g_rdf command (within gromacs-5.0.5) to calculate rdf as follow:
g_rdf_mpi_d -f .xtc -n .ndx -o rdf -cn
But the rdf is not getting converged to 1 exactly, rather it converges to
approximately 1.03. Whenever I am calculating rdf like this for different
sets of atoms, I am getting the same thing.
Can anyone please tell me why is this happening and what is the way out?
Any kind of help will be highly appreciated.
Thanks in advanced,
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