drop: a molecular dynamics simulation of 216 SPC/E water molecules
bucket: a molecular dynamics simulation of 1,728 SPC/E water molecules
river: a molecular dynamics simulation of 5,832 SPC/E water molecules
sea: a molecular dynamics simulation of 13,824 SPC/E water molecules
ocean: a molecular dynamics simulation of 27,000 SPC/E water molecules
As an example of a solvated protein, input files for myoglobin in aqueous solution are available. This system has been used previously in the literature to benchmark parallel molecular dynamics codes.
myo: a molecular dynamics simulation of myoglobin in SPC/E water (10,914 atoms)
For selected benchmarks speedup curves are compared as obtained for the KSR-2 and the IBM SP-2.