> the potentials indeed looks a bit funny. I'm currently running the > tutorial to verify everything is correct in there. Will get back to > you later. > > Thanks!
> As a general remark, very different potentials can lead to almost > identical RDFs. When we did the simulations, the RDF looked great > after 5-10 iterations, but then it took another ~200 to get to its > final shape. > > I suspected that, yet previous tests I did (I was using my own water simulations instead of the tutorial, with basically identical results) showed that the final shape is indeed the same. I am still running the IBI tutorial, will report you as soon as it finishes. So far we are at step_125 and it still looks more of the same :) I wonder how much potential discrepancies would affect AdResS simulations (that are my final aim). Thanks, Massimo -- You received this message because you are subscribed to the Google Groups "votca" group. To view this discussion on the web visit https://groups.google.com/d/msg/votca/-/tAx_L3AXDzkJ. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
