[gmx-users] g_order problem

Alan Dodd anoddlad at yahoo.com
Tue Feb 7 12:58:07 CET 2006


What does the index file look like?  That's most
likely where the problem is.  There should be a list
of groups of equivalent atoms in order along the
chain, as described in
http://www.gromacs.org/pipermail/gmx-users/2001-November/000148.html
for lipids.

--- Rongliang Wu <wurl04 at iccas.ac.cn> wrote:

> Hello gmx-users,
>        i used commands like" g_order -f traj.trr -s
> dwmd.tpr -os -szonly -n -sl 20 " to calculate the
> orientation parameters but i get all 0 results for
> each slices, and the atoms were clearly oriented. if
> anybody know the possible error, please tell me and
> it will be greatly appreciated. 
> 	
> 
> Thanks!
> 
> Regards!
>                     
> Sincerely,
> 
> Rongliang Wu
> State Key Laboratory
> of Polymer Physics and Chemistry
> Center of Molecular Science
> Institute of Chemistry
> Chinese Academy of Sciences
>  				
> 
> ¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡wurl04 at iccas.ac.cn
> ¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡2006-02-07
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