[AMBER] restraints in igb simulation

From: Danny Xu <quantum_mania.yahoo.com>
Date: Thu, 16 Feb 2012 22:21:39 -0800 (PST)

Hello,

In an igb simulation, what would be a good approach to:

1. restrain the protein to remove its rotation/translation, in another word, fix its center of mass
2. confine a ligand to move only inside a defined 3D box

Thanks very much in advance!

-DX
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Received on Thu Feb 16 2012 - 22:30:02 PST
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