Re: AMBER: peptide MD

From: Gustavo Seabra <>
Date: Mon, 27 Oct 2008 13:52:25 -0400

On Mon, Oct 27, 2008 at 1:47 PM, Beale, John wrote:

> One PDB file for each.

OK, then I suppose you should start by creating a PDB file with your
"system" (the 2 peptides) in some suitable orientation. Make sure
there is a "TER" card between the two. The you can just load that into
leap as you would with any other PDB file.

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Received on Wed Oct 29 2008 - 05:08:08 PDT
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