Uses of Class
ffx.potential.parameters.TorsionType
Package
Description
The Bonded package implements bonded molecular mechanics terms such as bonds, angles, torsions,
etc.
The Parameters package stores force field atom types, bond types, etc, and keywords that define
the potential.
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Uses of TorsionType in ffx.potential.bonded
Modifier and TypeFieldDescriptionfinal TorsionType
RestraintTorsion.torsionType
Torsion.torsionType
The force field Torsion type in use.Modifier and TypeMethodDescriptionvoid
Torsion.setTorsionType
(TorsionType torsionType) Set the torsion type.ModifierConstructorDescriptionRestraintTorsion
(Atom a1, Atom a2, Atom a3, Atom a4, TorsionType tType, boolean lamEnabled, boolean revLam, double units) -
Uses of TorsionType in ffx.potential.parameters
Modifier and TypeMethodDescriptionstatic TorsionType
TorsionType.average
(TorsionType torsionType1, TorsionType torsionType2, int[] atomClasses) average.ForceField.getTorsionType
(AtomType a0, AtomType a1, AtomType a2, AtomType a3) getTorsionTypeForceField.getTorsionType
(String key) getTorsionTypestatic TorsionType
Construct a TorsionType from an input string.static TorsionType
TorsionType.parseImproper
(String input, String[] tokens) Construct a TorsionType withTorsionMode.IMPROPER
from an input string.TorsionType.patchClasses
(HashMap<AtomType, AtomType> typeMap) Remap new atom classes to known internal ones.Modifier and TypeMethodDescriptionstatic TorsionType
TorsionType.average
(TorsionType torsionType1, TorsionType torsionType2, int[] atomClasses) average.