Re: AMBER: Create new Unit

From: David A. Case <>
Date: Thu, 30 Jun 2005 18:38:42 -0700

On Thu, Jun 30, 2005, Douali, Latifa wrote:

> I load my pdb file into the new unit
> > xxxx = loadpdb xxxx.pdb
> So I would like to determine the head and the tail atoms for my new
> unit. But it seems that leap does not recognize my unit.
> When I chek by the command desc xxxx it gives me that
> UNIT name: xxxx
> Head atom: null
> Tail atom: null
> But when I do
> Desc xxxx.1.1 it gives me that
> STRING (with no reference): 'xxxx.1.1'

I can't reproduce this, even with a pdb file that leap has never seen.
Are you sure that xxxx.pdb is a good pdb file? Try loading in just a pdb file
with a single residue, or a piece of xxxx.pdb. Then slowly make is bigger:
maybe you can find the problem. Otherwise, you will probably have to post
your xxxx.pdb file.


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Received on Fri Jul 01 2005 - 02:53:00 PDT
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