Hi everyone,

I built a mixture in Amorphous Cell module, with 20 molecule A, 20 molecule B, 30 molecule C and 40 molecule D. Now I want to analyze rotational time correlation function for molecule D in a trajectory file.

I define a set E containing all molecule D in the mixture and conduct rotational time correlation function analysis for it. However, the analysis fails and an error is given as shown in the following figure.

Then I create a distance for molecule D through measure/change tool and use this .xsd file as a pattern document to define a new set F. Rotational time correlation function analysis is then carried out for set F, but the same error occurs.  

My question is, what does distance monitor mean and how to create it for a set of molecule D for rotational time correlation function analysis?

Can anyone help me?

Thank you very much.