Efficient Ewald electrostatic calculatio
β
Paul E. Smith; B.Montgomery Pettitt
π
Article
π
1995
π
Elsevier Science
π
English
β 438 KB
A method is described which improves the efficiency of Ewald simulations of large condensed phase systems. This is achieved by partitioning the real space sum into a short and long range component. The long range component is calculated every time the pair list is generated and included in subsequen