Hey Christoph! Thank you very much! With the newer Gromacs version, it worked.
Marco On Friday, December 16, 2016 at 2:22:38 PM UTC+1, [email protected] wrote: > > Hey! > > I'm using Votca for the first time and I'm just trying out the > csg-tutorials which already worked fine for water. > > However, in the case of hexane, when I try to execute an inverse Boltzmann > iteration and a tabulated CG potential > is used, I get a problem with the Gromacs mdrun -tableb option: > > # > ERROR: > > # > # critical: 'gmx mdrun -s topol.tpr -c confout.gro -o traj.trr -x traj.xtc > -tableb table_a1.xvg table_b1.xvg' failed > > When I had a look into the log file, I got the following error message: > > Error in user input: > Invalid command-line options > In command-line option -tableb > Too many values > > Maybe I'm using the wrong Gromacs version (I'm using 5.1.1)? > > Could anyone help me with this problem? > > Thanks a lot! > Marco > -- 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.
