Hi Christoph, I'm sorry, I was not clear. I want to use LAMMPS as simulation program. But, in the spce/simplex tutorial, gromacs is the package used and the studied system is inhomogeneous (I want an homogeneous system). So, in order to get familiar with votca package, I decided to modify the spce/simplex tutorial using the configuration file of spce/ibi tutorial, and then, if everything is ok, change to lammps. Thank for your immediate response, I will try pre-simulation.
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