Following protein preparation, the UBA domain/Ubiquitin and Barnase/Barstar systems were solvated with TIP4P-D water in a dodecahedron periodic box with a distance from the protein to the box edge of 2 nm with a salt concentration of 0.15 M NaCl using GRO-MACS v2021.4. A straight non-bonded cutoff of 1 nm was used for both Van der Waals and electrostatic interactions and Particle Mesh Ewald 44 summation was used for electrostatics. The systems were first minimized and equilibrated for 10 ns with restraints on the protein backbone heavy atoms. Production runs were 1 µs with 3 repeats for each system.