Thank you very much for your prompt response!

I have a small follow-up question. I was under the impression that refinement is essentially and MD simulation, and thus if I start two scripts, requesting to generate a 100 models in each, I would end up with 200 different models.

I was surprised to see that the scripts actually generate precisely the same series of models, and with same energies etc.

Why is that? Is there a way to run several parallel simulations and get independent sampling, or does it have to go consecutively?

Thank you again!

-- Alex Predeus
MSU