Large-scale molecular dynamics simulation of DNA: implementation and validation of the AMBER98 force field in LAMMPS

DOI10.1098/RSTA.2004.1381zbMath1091.92031OpenAlexW2079378856WikidataQ34340532 ScholiaQ34340532MaRDI QIDQ5472061

Charles A. Laughton, Tom Evans, Christina Grindon, Keir Novik, Sarah A. Harris, Peter V. Coveney

Publication date: 14 June 2006

Published in: Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1098/rsta.2004.1381

zbMATH Keywords

molecular dynamicsDNAhigh-performance computingAMBERLAMMPS

Mathematics Subject Classification ID

Probabilistic models, generic numerical methods in probability and statistics (65C20) Biochemistry, molecular biology (92C40) Biomechanics (92C10) Software, source code, etc. for problems pertaining to biology (92-04)

Uses Software

• LAMMPS
• CHARMM

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