A common, avoidable source of error in molecular dynamics integrators

J Chem Phys. 2007 Jan 28;126(4):046101. doi: 10.1063/1.2431176.
No abstract available

Publication types

  • Evaluation Study
  • Letter

MeSH terms

  • Algorithms*
  • Artifacts*
  • Computer Simulation*
  • Models, Chemical*
  • Models, Molecular*
  • Numerical Analysis, Computer-Assisted*