[gmx-users] trjconv

[David van der Spoel]

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 
> ideas?
trjconv -pbc cluster
(with appropriate index)
> Thanks!
> Kay.
> 
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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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