OPAL

Energy refinement and molecular dynamics simulation algorithm for vector supercomputers

OPAL was a program for molecular dynamics (MD) simulation and energy refinement of biological macromolecules optimized for vector supercomputers such as the NEC SX series.

References

• Luginbühl, P., Güntert, P., Billeter, M. & Wüthrich K. The new program OPAL for molecular dynamics simulations and energy refinements of biological macromolecules. Biomol. NMR, 8, 136-146 (1996)