[gmx-users] trjconv

[Kay Gottschalk]

works great. thanks!
K.

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
>> 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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Dr. Kay-E. Gottschalk
Department of Biological Chemistry
Weizmann Institute of Science
Rehovot
Israel