NodeDesmond System Builder

Source

The System Builder panel allows you to set up a biological system consisting of proteins, ligands, explicit solvent, membrane, and counter ions, so that you can perform simulations on the system with Desmond.

Backend implementation

$SCHRODINGER/utilities/multisim

Input Ports

  1. Port Type: Data
    Input structure in Maestro format

Output Ports

  1. Port Type: Data
    CMS file

  1. MD simulation 1-3

    Desmond MD simulation: Prepare a system and run a Desmond MD simulation. Individual frames are then extracted and analyz…
    jcmozzic > Schrodinger workflow examples - 2019-2 > Molecular Dynamics > MD simulation > MD simulation 1-3

  2. MD simulation 1

    Desmond MD simulation: Prepare a system and run a Desmond MD simulation. Individual frames are then extracted and analyz…
    jcmozzic > Schrodinger workflow examples - 2019-2 > Molecular Dynamics > MD simulation > MD simulation 1

  3. MD simulation 1-2

    Desmond MD simulation: Prepare a system and run a Desmond MD simulation. Individual frames are then extracted and analyz…
    jcmozzic > Schrodinger workflow examples - 2019-2 > Molecular Dynamics > MD simulation > MD simulation 1-2