Freezegrps in ions.mdp - Segmentation fault (Core dumped) error

GROMACS version: 2020.1
GROMACS modification: Yes/No
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I want to conduct a simulation of a protein complex with 12 chains and want to keep 8 chains frozen while simulation while only observing the movements of atoms of the rest of the 4 chains. I am using “freezegrps” in all the .mdp files along with “freezedim” but the incorporation of both of these results in a “Segmentation fault (Core dumped)” error. Removing both the parameters from the .mdp files results in successful completion of the steps. Why is that so? How to rectify it?


please try to use a more recent version, this is a bug that should be fixed in the 2020.6 release or in the 2021 release series.