Re: [AMBER] protein distance constraints

From: case <>
Date: Mon, 19 Jul 2010 13:40:50 -0400

On Mon, Jul 19, 2010, Beale, John wrote:

> 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?

See tutorial A4; distance restraints are also called "NMR (distance)
restraints)" inside Amber.

See also section 6.1 of the Users' Manual.


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Received on Mon Jul 19 2010 - 11:00:04 PDT
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