Article ID: 75 - Last Modified: December 4, 2010
I want to add internal restraints to my Desmond simulation. How can I do that?
The add_bonded_restraints.py Python script can add and subtract internal harmonic restraints to the system. Use the following to get a simple usage statement:
$SCHRODINGER/run add_bonded_restraints.py -h
Note: These restraints are added to the Desmond .cms file, and therefore cannot be manipulated in the multisim .msj input file.
Keywords: Desmond, internal restraints, harmonic
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