Corrigendum to “Acceleration of the canonical molecular dynamics simulation by the particle mesh Ewald method combined with the multiple time-step integrator algorithm”: [Chem. Phys. Lett. 313 (1999) 261–266]

Computationally efficient canonical mole

Computationally efficient canonical molecular dynamics simulations by using a multiple time-step integrator algorithm combined with the particle mesh Ewald method and with the fast multipole method

✍ Kawata, Masaaki; Mikami, Masuhiro 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 545 KB

An efficient implementation of the canonical molecular dynamics simulation using the reversible reference system propagator algorithm (r-RESPA) combined with the particle mesh Ewald method (PMEM) and with the macroscopic expansion of the fast multipole method (MEFMM) was examined. The performance of