kay.gottschalk at weizmann.ac.il
Wed Jul 14 14:55:04 CEST 2004
works great. thanks!
On Jul 14, 2004, at 3:48 PM, David van der Spoel wrote:
> On Wed, 2004-07-14 at 14:23, Kay Gottschalk wrote:
>> I have a protein complex at the edge of the box, so that one part of
>> the complex is wrapped (in the initial conformation after editconf).
>> For pretty pictures (movies) I'd like to have the complex as a whole.
>> Somehow trjconv -pbc whole -center doesn't seem to do the trick. Any
> trjconv -pbc cluster
> (with appropriate index)
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> 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
> gmx-users mailing list
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Dr. Kay-E. Gottschalk
Department of Biological Chemistry
Weizmann Institute of Science
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