Re: [AMBER] which chain to select for MD simulation.

From: Jason Swails <>
Date: Wed, 30 Dec 2015 20:55:44 -0500

On Wed, Dec 30, 2015 at 2:58 PM, Saman Yousuf ali <> wrote:

> Hi, amber users:
> My target protein is homotetramer (ligand binds with each chain).
> An elongated active site of each chain is, formed primarily by a single
> subunit (chain A) but with one end created by the C-terminus (one residue)
> of a partner subunit (chain D). In this case, whether I select one or both
> chains for MD simulation.

‚ÄčThis depends entirely on what you are trying to learn.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
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Received on Wed Dec 30 2015 - 18:00:02 PST
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