AMBER Archive (2008)

Subject: Re: AMBER: peptide MD

From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Mon Oct 27 2008 - 12:52:25 CDT

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.

Gustavo.
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