[AMBER] protein distance constraints

From: Beale, John <John.Beale.stlcop.edu>
Date: Mon, 19 Jul 2010 10:18:11 -0500

I am conducting high temperature molecular dynamics simulations of a
homodimeric protein. My interest is to simulate unfolding pathways. In
order to prevent the drifting apart of the monomeric units, I would like
to apply distance constraints for part of the simulation. Having never
used distance constraints in Amber, I need some advice on how to set
them up. Is there a tutorial in which distance constraints are used with
a protein that I could follow to learn how to do this?








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Received on Mon Jul 19 2010 - 08:30:06 PDT
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