edu.duke.cs.osprey/edu.duke.cs.osprey.gui.forcefield.eef1/EEF1ForcefieldParams/AtomPairParams

AtomPairParams

inner class AtomPairParams(vdwRadiusa: Double, lambdaa: Double, vdwRadiusb: Double, lambdab: Double, alpha1: Double, alpha2: Double) : ForcefieldParams.AtomPairParams

Constructors

fun AtomPairParams(a: EEF1.AtomType, b: EEF1.AtomType)

Functions

open override fun calcEnergy(r: Double): Double

Properties

val alpha1: Double

val alpha2: Double

val lambdaa: Double

val lambdab: Double

open override val list: List<Double>

val vdwRadiusa: Double

val vdwRadiusb: Double