Velocity Autocorrelation Function Analysis

I am trying to use velocity autocorrelation analysis, but I keep getting an error message: "Velocity autocorrelation function analysis failed. There are no moveable particles selected for analysis".  

I read in an earlier post that one cannot create a "set" using a centroid.  What can I label on the structure I have placed in a .xsd to use as a "set"?

Thank you in advance for your help.