Okay got it. Thank you Christoph. Kind regards, Akash
On Mon, Mar 25, 2019, 10:59 AM Christoph Junghans <[email protected]> wrote: > > > 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. > -- 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.
