As a final test, we ran a GaMD simulation and a WE simulation of bovine pancreatic trypsin inhibitor (BPTI), an 892-atom system with 58 residues (PDB: 5PTI). This was to test whether GaMD will be more effective than WE at covering the free energy landscape of a bigger protein system than alanine dipeptide or chignolin. TIP4P-Ew water model was used to solvate the system explicitly. Both simulations were run for 500 ns. Simulation time, τ for WE was set to 40 ps, and points were sampled every 2 ps to match GaMD's sampling frequency. Target number of walkers per macrostate n w was set to 4. CVs were set to be the dihedral angles χ 1 -C14 and χ 1 -C38 associated with the disulfide bond formed between cysteine 14 and cysteine 38. Macrostates were evenly spaced in intervals of 10 • for both (ranging from -180 • to 180 • ).