Hello all,
I am iterating three non-bonded interactions in my system. I see that after having converged to a good extent, the RDFs immediately diverge at the next step. Inspite of using a scaling factor of 0.3/0.1/0.001 on the potential update, there's no improvement. Following are the plots for a better understanding. Could someone suggest ways to deal with this issue? Many Thanks! -Pallavi Banerjee <https://lh3.googleusercontent.com/-D4X_hdiI-Jg/Vlfo9BrmZxI/AAAAAAAAAPc/K5Tc0gp7VTQ/s1600/rdf_A-A.PNG> <https://lh3.googleusercontent.com/-cNX1tukV_BY/VlfpEWoMo6I/AAAAAAAAAPk/tGwFguRtYDE/s1600/rdf_B-B.PNG> -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
