edu.duke.cs.osprey/edu.duke.cs.osprey.gui.forcefield/Forcefield

Forcefield

interface Forcefield

Types

object Amber14SB : Forcefield

Currently recommended by Amber 19 for simulation of proteins.

object Amber96 : Forcefield

Time-tested protein forcefield and historical favorite of the Donald Lab.

object EEF1 : Forcefield

Calculates solvation energies for proteins in water.

Functions

abstract fun parameterizer(): ForcefieldParams

Properties

open val name: String

ospreyImplementation

abstract val ospreyImplementation: String

Inheritors