dlputils is a collection of programs, written in Fortran, which can calculate useful quantitites from a sequence of atomistic configurations. Typically these atomistic configurations represent a molecular dynamics trajectory. These utilities evolved from using the CCP5 DL_POLY to investigate (predominantly) condensed-phase liquid systems.

For visualisation of probability densities calculated with the pdens code, consider using Aten. For visualisation of angle-dependent RDFs calculated with the ardf code, consider using uChroma.

Section Index:

  • 1.Compilation
    Notes and instructions for compiling dlputils
  • 2.Usage
    General usage notes
  • 3.Utilities Reference
    Guides for each utility that is part of dlputils