[MMTK] object lost in trajectory?

konrad.hinsen at laposte.net konrad.hinsen at laposte.net
Fri Mar 18 08:45:58 CET 2005


On 17.03.2005, at 20:16, Shirley Siu wrote:

> I run an MD on a pdb with two chains:
>
> conf=PDBConfiguration(filename)
> chains=conf.createPeptideChains()
> obj=Protein(chains)
> universe.addObject(obj)
> ... md..
>
> then I create the universe out of the trajectory, and I only find one
> object? (only first chain) what can I do to retrieve the second chain  
> too?
>
The universe contains only one object, the protein. You can retrieve  
the two chains as protein[0] and protein[1].

Konrad.
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Konrad Hinsen
Laboratoire Leon Brillouin, CEA Saclay,
91191 Gif-sur-Yvette Cedex, France
Tel.: +33-1 69 08 79 25
Fax: +33-1 69 08 82 61
E-Mail: khinsen at cea.fr
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