[gmx-users] Re: Deshuffling of .xtc file

[David van der Spoel]

On Mon, 2004-11-29 at 11:27 +0100, Ivano Eberini wrote:
> Il giorno 29/nov/04, alle 09:07, gmx-users-request at gromacs.org ha 
> scritto:
> 
> > Could it be that you have only written your protein to the xtc file?
> > Check with gmxcheck
> 
> Dear David,
> 
> yes, I have just written the protein in the .xtc file, but also the 
> DeShuffle_xtc index should contain just the protein, should'n it?
maybe, maybe not. Anyway then you do not need to deshuffle the protein
because it will be correct.
> 
> Thanks and best regards,
> Ivano
> --
> Ivano Eberini
> Gruppo di Studio per la Proteomica e la Struttura delle Proteine
> Dipartimento di Scienze Farmacologiche
> Universita' degli Studi di Milano
> Via G. Balzaretti, 9
> 20133 - Milano, Italy
> Tel.: +3902503-18304/-18395
> Fax:  +3902503-18284
> 
> "Quelli che scavano il sole cercando un'ombra migliore"
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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