[gmx-users] trjconv

David van der Spoel spoel at xray.bmc.uu.se
Wed Jul 14 14:48:39 CEST 2004

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.
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
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

More information about the gromacs.org_gmx-users mailing list