4.7 Article

Correcting mesh-based force calculations to conserve both energy and momentum in molecular dynamics simulations

Journal

JOURNAL OF COMPUTATIONAL PHYSICS
Volume 225, Issue 1, Pages 1-5

Publisher

ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcp.2007.03.010

Keywords

molecular dynamics; Ewald sum; force fields

Funding

  1. NCRR NIH HHS [P41 RR005969, P41 RR005969-18] Funding Source: Medline
  2. NIGMS NIH HHS [R01 GM083605, R01 GM083605-01] Funding Source: Medline

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