On Mon, Mar 25, 2019, 09:23 Akash Banerjee <[email protected]> wrote:
> 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 > <http://potential_shift.pl> line 87* > > Could I get some help in understanding what this error means and how I > can resolve it? > The error says it all, it looks like there in no valid point in the input file. You will have to check the input file manually. if it worked for 59 iterations I am guessing the extrapolate failed somehow. Christoph > > 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. > -- 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.
