rdf.pl
Posted: Fri Jan 23, 2009 12:44 pm
What is the typical value for bin for rdf.pl.
Related appropriate literature would be helpful.
Related appropriate literature would be helpful.
The bin size should be large enough so that you get a significant number of pairs in each bin, but not so large that you lose resolution in your function. The script we provide is very simple and does not try to predict a suitable bin size. Try a few values to find one that is appropriate. The bin size will be very system size dependent.
For literature about this, check any introductory book about molecular simulations. There is a good one by Frenkel and Smit called "Understanding Molecular Simulation", and other by Allen and Tildesley called "Computer Simulations of Liquids".