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Desmond simulation

Molecular DynamicsDesmondTrajectorySnapshotsJobcontrol
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May 25, 2023 8:44 AM
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Prepare a system and run a Desmond MD simulation. Individual frames are then extracted and analyzed in terms of hydrogen bond network and atom distance. [Requires: Desmond] [Keywords: Moleclar dynamics simulation, trajectory, snapshots, jobcontrol, distance, hydrogen bond, atom selection]
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Created with KNIME Analytics Platform version 4.1.0
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    Schrödinger Free NodesUnknown extension

    This is an unpublished or unknown extension.

    Schrodinger

    Version 4.3.10

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    Schrödinger Nodes FeatureTrusted extension

    Schrödinger

    Versions 19.3.9, 4.3.10, 4.6.8

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