[gmx-users] Protein jumping out of box

[herbst at fhi-berlin.mpg.de]

Hello all,

I just run a 1 ns simulation for a protein in water and when I looked at
the trajectory, I saw that from one timestep to the next the protein
jumped out of the solvent (and the box), only to jump back in three
timesteps later. How can this happen and what can I do against it?

Thanks,
Anna