Optimization of parameters for molecular dynamics simulation using smooth particle-mesh Ewald in GROMACS 4.5

Mark J. Abraham, Jill E. Gready

    Research output: Contribution to journalArticlepeer-review

    235 Citations (Scopus)

    Fingerprint

    Dive into the research topics of 'Optimization of parameters for molecular dynamics simulation using smooth particle-mesh Ewald in GROMACS 4.5'. Together they form a unique fingerprint.

    Computer Science

    Engineering

    Mathematics