Hi all,

I am simulating a small membrane protein system:

Protein  1 (256 aminoacids)
DPPC    104
SOL    4377
CL    7
NA    1

using CHARMM36m force-field, short cut-offs (0.9 nm) and semi-isotropic Berendsen p-coupling.

I am experiencing sudden jumps in box dimensions from [6.52 6.52 6.96] to [5.05 5.05 7.72] in tens of nanoseconds, which take hundreds of nanoseconds to go back to the previous box size.

Has anyone ever seen anything similar?

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