LAMMPS Stable Release Summer 2021

Oliver Henrich (Developer)

Research output: Non-textual formSoftware

Abstract

The new release contains an important conceptual enhancement of the oxDNA and oxRNA model in form of the new atom style oxdna. The nucleotide polarity is now set through the data file, whereas it was previously determined on the fly. The latter led to occasionally and temporarily frustrated stacking interactions in very flexible ssDNA overhangs and denaturation bubbles.
Original languageEnglish
Place of PublicationSan Francisco, CA.
Media of outputOnline
Publication statusPublished - 31 Aug 2021

Keywords

  • LAMMPS
  • molecular dynamics simulator
  • molcular dynamics code

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