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
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