Wird geladen...

Staggered Mesh Ewald: An extension of the Smooth Particle-Mesh Ewald method adding great versatility

We draw on an old technique for improving the accuracy of mesh-based field calculations to extend the popular Smooth Particle Mesh Ewald (SPME) algorithm as the Staggered Mesh Ewald (StME) algorithm. StME improves the accuracy of computed forces by up to 1.2 orders of magnitude and also reduces the...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Hauptverfasser: Cerutti, David S., Duke, Robert E., Darden, Thomas A., Lybrand, Terry P.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2009
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2822383/
https://ncbi.nlm.nih.gov/pubmed/20174456
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct9001015
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!