[ghemical-devel] periodic engine question

[James Towey]

Hi All

Is there any chance you could help me out with a question about Ghemical 2.98...

I have used the all molecular mechanics setup "periodic engine (minimum image model); default mim" to produce a model that I then fitted to neutron diffraction data.

Can someone tell me where the values for the parameters come from?

Best wishes,
James Towey