[gmx-users] PBC in g_gyrate

Chris Neale chris.neale at utoronto.ca
Thu Jan 18 01:09:48 CET 2007

It does not. If you plot Rg over time you will see that there are huge fluctuations that 
correspond to PBC crossings. g_rdf -com has the same problem. The problem is created during
the process of finding the geometrical center of the group.
> I am not sure whether g_gyrate takes
/>/ into account Periodic boundary conditions while calculating radius of
/>/ gyration for such a system./

More information about the gromacs.org_gmx-users mailing list