DoMD

Manual:

  • Preface and Disclaimer
  • Introduction
  • Installation Guide
  • Running the Examples
  • Component of Code
  • Wrapped functions
  • Input Configuration and File Format
  • S-CGFG Algorithm
  • Force Field Assignment
  • Custom Force Field Construction

Tutorials:

  • Linear Polymer (examples/pi)
  • Brush Polymer (examples/spes_brush)
  • Crosslinked Networks (examples/spes_network)
  • Lipid Membranes & Protein-Loaded NPs (examples/aunps)
  • Core-Shell Nanoparticles (examples/core_shell_nps)

API Reference:

  • domd_cgbuilder package
  • domd_database package
  • domd_forcefield package
  • domd_topology package
  • domd_xyz package
  • misc package
DoMD
  • Python Module Index

Python Module Index

d
 
d
- domd_cgbuilder
    domd_cgbuilder.HSP_predictor
    domd_cgbuilder.HSP_predictor.models
domd_database
- domd_forcefield
    domd_forcefield.oplsaa
    domd_forcefield.oplsaa.ml_functions

© Copyright 2026, Ming-yang Li, Rui Shi, Hu-jun Qian (hjqian@jlu.edu.cn).

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