AMBER Archive (2005)

Subject: Re: AMBER: Create new Unit

From: David A. Case (case_at_scripps.edu)
Date: Thu Jun 30 2005 - 20:38:42 CDT

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.

...dac

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