AMBER Archive (2000)

Subject: Annealing with rigid body

From: Pornthep Sompornpisut (ps2t_at_virginia.edu)
Date: Tue Aug 15 2000 - 14:29:34 CDT

Dear sir,

   I would like to model a homo-tetrameric protein. First, I would like to
find an appropriate arrangement of four identical rigid helix bundles by
performing simulated annealing protocol. Does anyone know how to keep fix
the conformation of helices during simulated annealing? Do I have to impose
the artificial constraints to keep the geometry or are there any other
ways to do it?
   Any comments are appreciate. Thank you.

Thep
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Pornthep Sompornpisut, Ph.D
Postdoctoral Fellow
Department of Physiology
University of Virginia
Tel: 804-924-5473
Fax: 804-982-1616
Email:ps2t_at_virginia.edu
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