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

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1

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?

2

Hello,

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.

Cheers

Paul