DFF7 User Guide

DFF7 User Guide

DFF7 User Guide

1. Introduction

Overview
Feature List
Common Use Cases

Download and Installation
Get License
Navigate DFF
Build Models
Make Force Filed
Use and Extend TEAMFF

Project and Models
Build Liquid Models
Use TEAMFF Force Field
Mix TEAMFF Force Fields
Fit Rigid Molecule
Fit Flexible Molecule
Fit Molecular Dimer
Fit Liquid Date
Make a Force Field
Extend TEAMFF
Use MFDFF
MFDFF Workflow

IV. Concepts, Methods and Algorithms

Project and File System
Models
Force Field
Molecular Topology and Atomic Attributes
Definition of Atom Types
Training Set
Parametrization
TEAMFF Database
MTFF
Simulations

V. References of DFFWin Commands

Project Navigator
Toolbar and Mouse
File Menu
Edit Menu
Build Menu
View Menu
TEAMFF Menu
Simulation Menu
ForceField Menu
Parameter Menu
QMD Menu
MFDFF Menu
Help Menu

VI. References of Executable Program Commands

dffqmd Commands
dfffit Commands
dffmm and dffmd Commands
dffwfc Commands
dfflsv Commands
dffjob, dffdb and dff.exe Commands

Get Start
Tutorial
Support

Force Field Functions
File Formats

Introduction

Overview
Feature List
Common Use Cases