Uses of Class
ffx.potential.DualTopologyEnergy
Packages that use DualTopologyEnergy
Package
Description
The Potential package implements molecular mechanics force fields with shared memory Parallel
Java and via OpenMM.
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Uses of DualTopologyEnergy in ffx.potential
Methods in ffx.potential that return DualTopologyEnergyModifier and TypeMethodDescriptionQuadTopologyEnergy.getDualTopA()
Returns the first component DualTopologyEnergy.QuadTopologyEnergy.getDualTopB()
Returns the second component DualTopologyEnergy.Constructors in ffx.potential with parameters of type DualTopologyEnergyModifierConstructorDescriptionQuadTopologyEnergy
(DualTopologyEnergy dualTopologyA, DualTopologyEnergy dualTopologyB) General structure: first layer will be the "A/B" layer, consisting of the two dual topologies.QuadTopologyEnergy
(DualTopologyEnergy dualTopologyA, DualTopologyEnergy dualTopologyB, List<Integer> uniqueAList, List<Integer> uniqueBList) General structure: first layer will be the "A/B" layer, consisting of the two dual topologies.