Re: [AMBER] Creating a Gold surface library file

From: David A Case <>
Date: Mon, 14 May 2018 21:20:45 -0400

On Mon, May 14, 2018, Timothy Cholko wrote:
> I really want to create a reusable slab of the gold surface that I can just
> load multiple times and position accordingly to make a surface of a desired
> size. I thought the key to doing this was to create a .lib file of the
> slab, in the same way that amino acids etc. are defined in .lib files and
> constructed via that template. But when I save a .lib file for a gold slab,
> it seems like it only saves it as the particular object I created in that
> same xleap session, and if I load an identical slab that just has different
> coordinates but the same residue name, it isnt recognized and strange
> things happen.

What you describe sounds quite reasonable, but we can't help much
without more information. You don't say what you actually did, and
don't report any errors beyond saying "it isn't recognized and strange
things happen". (You might be surprised how often having the *exact*
error message allows at least an educated guess about what it going on;
and more details are almost always better).


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Received on Mon May 14 2018 - 18:30:03 PDT
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