AMBER: Restraints and free energy

From: Sophie Barbe <>
Date: Fri, 13 Apr 2007 18:05:06 +0200

Dear Amber users,

I have two questions.

Firstly, I would like to put a restraint between the barycenter of a ligand and
the barycenter of the protein during a minimization. Do you know if I can do
that with AMBER?

Secondly, I would like to perform a minimization and compute the free energy.
Could you explain me how can I preform that?

Thank you very much for advance

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Received on Sun Apr 15 2007 - 06:07:39 PDT
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