GROMACS version: 5.0.7
GROMACS modification: Yes/No
I am currently encountering an issue while simulating the Au(111) plane in a water environment using GROMACS. Despite constraining the position of the gold atoms, I am observing that the plane breaks during the simulation, possibly due to the periodic boundary conditions (PBC) effect. To provide a better understanding of my system, I have uploaded a snapshot taken during the simulation. Your valuable insights and suggestions on stabilizing the Au(111) surface in the presence of water molecules, considering the potential influence of PBC, would be highly appreciated. Thank you for your time and expertise!"
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