DL_FIELD Tutorial

Welcome to the DL_FIELD tutorial main portal. 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.

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)