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Contents
 
Introduction
Help Videos
Reference Guide
Getting Started
Protein Structure
Molecular Graphics
Slides & ActiveICM
Sequences & Alignments
Protein Modeling
Cheminformatics
Learn and Predict
Docking
Virtual Screening
Molecular Dynamics
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 MD Restraints
 MD Membrane
 MD VLS
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3D Ligand Editor
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ICM-Scarab
KNIME
Tutorials
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Index
PrevICM User's Guide
15.1 Restraints
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To add restraints:

  • Make a copy of the protein you wish to simulate - right click on the name of the protein in the ICM workspace (left hand side) and choose the option 'clone'.
  • Select the region of the cloned molecule you wish to restrain and convert that selection to an 'orange' selection as described here.
  • Go to MolMechaics/Run MD Simulation as described above and choose the selection in the Restrain dialog box.
  • Click OK to run the simulation.


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