openff-interchange documentation
openff.interchange
interop
gromacs

gromacs

openff-interchange

openff-interchange documentation

openff-interchange

Installation

Installation
Development guidelines
Release History
Upcoming changes in Interchange 0.4

User's guide

Introduction
Constructing an Interchange
Exporting to other software
Tweaking and Inspecting Parameters
Migrating from other tools
Creating custom interactions via plugins
Capabilities
Experimental features

API Reference

openff.interchange
- Interchange
- common
- components
- constants
- drivers
- exceptions
- foyer
- interop
- models
- operations
- plugins
- smirnoff
- warnings

`gromacs`

Interfaces with GROMACS.

Modules

`export`	Exports to GROMACS files.
`models`	Classes used to represent GROMACS state.

Contents

gromacs
- Modules

© Copyright 2020, Open Force Field Initiative. Project structure based on the Computational Molecular Science Python Cookiecutter version 1.2.

Created using Sphinx 4.5.0. and the Open Force Field Sphinx theme

An Open Force Field Initiative project.