openff-interchange documentation
openff.interchange
exceptions
PACKMOLRuntimeError

PACKMOLRuntimeError

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
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- smirnoff
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`PACKMOLRuntimeError`

exception openff.interchange.exceptions.PACKMOLRuntimeError[source]

Bases: InterchangeException

Exception raised when PACKMOL fails to execute / converge.

NonbondedEnergyError

PACKMOLValueError

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