Collective Variable Package

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Contents

• Getting Started
  • Introduction
  • Installation
  • Usage
  • Example
• Collective Variables
  • Angle
  • AtomicFunction
  • AttractionStrength
  • CentroidFunction
  • CompositeRMSD
  • Distance
  • HelixAngleContent
  • HelixHBondContent
  • HelixRMSDContent
  • HelixTorsionContent
  • MetaCollectiveVariable
  • NumberOfContacts
  • OpenMMForceWrapper
  • PathInCVSpace
  • PathInRMSDSpace
  • RadiusOfGyration
  • RadiusOfGyrationSq
  • ResidueCoordination
  • RMSD
  • SheetRMSDContent
  • ShortestDistance
  • Torsion
  • TorsionSimilarity
• Type Aliases
  • ScalarQuantity
  • VectorQuantity
  • MatrixQuantity
• Reporting
  • CustomWriter
  • CVWriter
  • MetaCVWriter
  • StateDataReporter
• Serialization
  • serialize()
  • deserialize()
• Units
  • Quantity
  • Unit
  • in_md_units()
  • value_in_md_units()
• Bibliography

Indices and tables

• Index

• Module Index

• Search Page