Hi, I have a system that is effectively two-dimensional. I have two parallel plates, which are each parallel to the xy plane. Thus, I have what I think one would call "slab geometry."
Since my system is clearly not isotropic, it does not make sense to compute radial distribution functions in the standard way (i.e., considering a sphere around the atom/molecule of interest). Do you know if it is possible to compute radial distribution functions in cylindrical coordinates? In the documentation for g_rdf, there is a switch "-[no]xy" which by default is set to "no." This switch is described as "Use only the x and y components of the distance." Am I correct in understanding that "-xy" is effectively computing the RDF in cylindrical coordinates? I guess this would mean that, for every atom/molecule of interest, you would consider a cylinder whose axis is parallel to the z axis (and the z axis is perpendicular to the plates, which are parallel to the xy plane). Basically, my question is the same as that asked here: http://lists.gromacs.org/pipermail/gmx-users/2009-April/041475.html , although it doesn't seem that that post was resolved. Thank you! Andrew DeYoung Carnegie Mellon University -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
