DL_SDG VersionsΒΆ
Version 2.4, released February 2025
Resources and Tutorials: D_ATA software including tutorial.
DL_Software Tutorial: Democritus MD visualiser and learning materials.
DL_Software Tutorial: New and update for DL_FIELD, DL_POLY and DL_MESO
Misc. editing, improvements.
Version 2.3, released July 2024
DL_FIELD tutorial: Force field conversion for Gromacs and force field conversions from third party file formats (rtf, prm).
Included general introduction to molecular modelling, for general audience.
Knowledge Center: Coarse graining methods and additional details on LBE.
Misc. editing, improvements - addition of information on suggested control parameters for simulations.
Version 2.2, released September 2023
DL_ANALYSER tutorial: illustration on cluster analysis and characterisation.
DL_FIELD tutorial: guide to udff file, use of VDW_FIX, auto determine vdw parameters and atom equivalence.
Simulations: Simulating a liquid using DPD (DL_MESO): improvement to include detailed descriptions of simulation visualisation and result analysis.
Simulations: Simulating vapour-liquid coexistence using Lattice Boltzmann (DL_MESO): from input preparation, simulation to results analysis.
Misc. editing, corrections.
Version 2.1, released December 2022
Knowledge Center: Molecular Dynamics: bond constrains, MD integration.
DL_ANALYSER tutorial: illustration on DANAI and results analysis.
Created new section on Simulation: Example simulation models and procedures.
Created new section on Simulation: Simulating a liquid using DPD for DL_MESO.
Misc. editing, corrections, with clearer narratives.
Version 2.0, released July 2022
DL_ANALYSER tutorial on Atomic Interaction Analysis.
Update DL_MESO installation guide.
Knowledge Center: Force Field: 1-4 scaling, atom typing, parameter fittings, improper.
Knowledge Center: System regulators - Barostat, thermostat.
Knowledge Center: Molecular Dynamics: enhancement and include boundary conditions.