On Tue, Apr 3, 2018, 09:31 Alexander Alexander <alexanderwie...@gmail.com> wrote:
> Dear all, > > I am iterating over the both bonded and nonbonded interactions in my > system using IBI. I also let program to guess all the initial potential in > step_000. So, I do not need any external potential, but the program crashes > in the step_001 requiring a table.xvg, I have attached my input files in a > zip file, I would be so appreciated if you could have a look and help me > overcome the problem. > I was wrong, the table.xvg is still needed even with gromacs-2016. So just create a table.xvg with all zeros as y columns (or copy one over from one of tutorials) See the gromacs manual on details for the table format of table.xvg! Christoph > > Thank you. > > Best regards, > Alex > > -- > 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 votca+unsubscr...@googlegroups.com. > To post to this group, send email to votca@googlegroups.com. > 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 votca+unsubscr...@googlegroups.com. To post to this group, send email to votca@googlegroups.com. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
