The '-multi' parameter has been removed in the 2020 version of gromacs.
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kexul commented
The '-multi' parameter has been removed in the 2020 version of gromacs, the runSimulation function may need to be updated.
msuruzhon commented
I have just pushed a commit that restructures the runSimulation function and should hopefully fix this problem. It might need some testing though, since there are many combinations of parameters that could be passed to the function.