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DL_FIELD¶

Welcome to the DL_FIELD reference guide main portal: more illustrations and less wordings than a user manual. If you are new to DL_FIELD or you wish to refresh your memory, you come to the right place. The contents were extracted from DL_FIELD lecture slides given in DL_Software training workshops, but modified for online self-learning experience.

../../_images/dl_f_0_1.png ../../_images/dl_f_0_2.png ../../_images/dl_f_0_3.png

Table of contents:

  • What is DL_FIELD
  • Structures and operations
  • The dl_f_path file
  • Foce field schemes
  • Force field data files: Structure Files
  • Force field data files: Parameter Files
  • ATOM_KEY equivalence
  • Bond connectivity
  • The Input Configuration Files
  • The Output files
  • DL_FIELD control file
  • The udff file: 1. File format
  • The udff file: 2. Examples
  • Atom Typing
  • The DL_F Notation 1
  • The DL_F Notation 2
  • Solution Maker Feature
  • Adding solvents
  • Define Atom States
  • Core-shell model
  • Pseudo points
  • Customise VDW interactions (VDW_FIX directive)
  • Auto VDW determination
  • Selective interactions
  • Multiple Potential Features
  • Force field files for Gromacs
  • Gromacs setting and restrictions
  • Gromacs example output
  • Setup FF from Amber’s Antechamber
  • Setup FF from CHARMM’s rtf and prm

DL_FIELD video series (hosted in YouTube)

Table of Contents

  • Introduction
  • Resources
    • DL_Software Manuals
    • DL_Software General Information
    • DL_Software Reference Guides
      • DL_POLY
      • DL_FIELD
      • D_ATA
      • DL_ANALYSER
      • DL_MESO
    • DL_Software Tutorial Exercises
    • Video Material
    • Model Building and Visualization Software
    • Text Editors
    • Linux Cheat Sheet
  • Simulations
  • Knowledge Center
  • Acknowledgements

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