Benchmark results for AWSEM-3SPN2 simulations of protein-DNA complexes using the LAMMPS and the OpenMM implementations of both forcefields on a linear scale (left) and on a log scale (right).
The x-axis shows the PDB ID. The y-axis shows the computer hours needed to simulate for 1 million steps. Each complex was simulated 5 times using each implementation. The protein length ranges from 52 nucleotides to 2050 amino acids, while the DNA length ranges from 2 to 40 nucleotides.