Hello all,

I would like to do Forcite RDF analysis of a NaCl solution. I did the following steps:

1. Sketch water. The optimize using Forcite/Geometry optimization with COMPASSII. save as water.xtd
2. Sketch Na+, save as Na.xtd
3. Sketch Cl-, save as Cl.xtd
4. Amorphous cell calculation to mix water.xtd, Na.xtd, and Cl.xtd

5. Dynamic simulation using NPT using COMPASSII

6. Select the trajectory of step5, define sets, e.g., Edit/Find patterns/ Pattern document: water.xtd.

6. Do RFD analysis using set water-water

However, I got the error message: "Radial distribution function analysis failed.
There are not enough particles for a RDF analysis. At least one particle or centroid is required"
Do you know why it is? and can you please suggest a solution?

Thank you in advance!

Best,
Trang