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

AtomPairsParams

inner class AtomPairsParams(molsParams: Map<Int, EEF1ForcefieldParams.AtomsParams>) : ForcefieldParams.AtomPairsParams
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Functions

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open operator override fun get(moli1: Int, atomi1: Int, moli2: Int, atomi2: Int, dist: Int?): EEF1ForcefieldParams.AtomPairParams?
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Return the forcefield parameters for this atom pair interaction, if any. Dist, if null, indicates unconnected

Properties

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val molsParams: Map<Int, EEF1ForcefieldParams.AtomsParams>
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