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CGExplore documentation

CGExplore documentation

CGExplore

Recipes
First paper example
Structure prediction
- Available graphs
Systems optimisation
Sharing with collaborators
Molecular
OpenMM Interface
Forcefields
Terms
Analysis
Executables
Topologies
Atomistic tools
Utilities

Modules:

Modules
- cgexplore

cgexplore.utilities.ForceFieldUnavailableError¶

exception cgexplore.utilities.ForceFieldUnavailableError[source]¶: Error found assigning forcefield term.

cgexplore.utilities.ForceFieldUnitError

cgexplore.utilities.yield_shifted_models

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cgexplore.utilities.ForceFieldUnavailableError
- ForceFieldUnavailableError