Dear Votca Team, I am getting this error after the 60th iteration of IBI :
*No valid value found in bond_1.dpot.pure_ibi at /usr/share/votca/scripts/inverse/potential_shift.pl line 87* Could I get some help in understanding what this error means and how I can resolve it? Thank you for your help. Kind Regards, Akash -- 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 https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
