[gmx-users] g_dist

[Alan Dodd]

That'd certainly work if the movement is continuous,
but if there are many fluctuations near the crossover
point then sorting out which steps to fudge it at
could be a pain.  Assuming you only care about the Z
seperation, I'd be tempted to use g_traj to plot both
groups, and subtract the z-position of one group from
the other at each step.

Just a thought.

--- Xavier Periole <x.periole at rug.nl> wrote:

> Kay Gottschalk wrote:
> 
> > They are not interacting. The distance is larger
> than 40 Å. But  
> > still,if the distance to the mirror image is 41 Å
> and to the same  
> > protein in the box is 45 Å, the distance to the
> mirror image will be  
> > plotted... We are indeed pulling on z.
> > Best, Kay.
> 
> Good, so the solution I proposed should solve your
> problem !!
> 
> XAvier
> 
> -- 
> ----------------------------------
>  Xavier Periole - Ph.D.
> 
>  Dept. of Biophysical Chemistry / MD Group   
>  Univ. of Groningen
>  Nijenborgh 4
>  9747 AG Groningen
>  The Netherlands
>  
>  Tel: +31-503634329
>  Fax: +31-503634398
>  email: x.periole at rug.nl
>  web-page: http://md.chem.rug.nl/~periole
> ----------------------------------
> 
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