Nov 24 2024 Feedback.
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
 Run MD
 MD Restraints
 MD Membrane
 MD VLS
MolScreen
3D Ligand Editor
Tables and Plots
Local Databases
ICM-Scarab
KNIME
Tutorials
FAQs
 
Index
PrevICM User's Guide
14.2 Restraints
Next

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.


Prev
Run MD
Home
Up
Next
MD Membrane

Copyright© 1989-2020, Molsoft,LLC - All Rights Reserved.
This document contains proprietary and confidential information of Molsoft, LLC.
The content of this document may not be disclosed to third parties, copied or duplicated in any form,
in whole or in part, without the prior written permission from Molsoft, LLC.