[gmx-users] freezegroups

[Erik Lindahl]

Oops,

That looks like an error in the updating routine; which settings are  
you using for temperature and pressure coupling, and are you running  
MD/SD/BD ?

Cheers,

Erik

On Monday, Mar 3, 2003, at 09:45 US/Pacific, Bert de Groot wrote:

> Hi all,
>
> anyone recently tried to freeze a group in one dimension?
>
> with the following setup:
>
> freezegrps               = ions   rest
> freezedim                = N N Y  N N N
>
> my "ions" group wildly moves, including the z-direction (which I  
> thought
> I had frozen). As a check, I tried:
>
> freezegrps               = ions   rest
> freezedim                = Y Y Y  N N N
>
> which indeed freezes the group completely, so the rest of the setup  
> seems
> ok. What do I need to do to freeze this group in the Z-direction only?
>
> cheers,
>
> Bert
>
> _______________________________________________________________________ 
> _____
> Dr. Bert de Groot
>
> Max Planck Institute for Biophysical Chemistry
> Theoretical molecular biophysics group
> Am Fassberg 11
> 37077 Goettingen, Germany
>
> tel: +49-551-2011306, fax: +49-551-2011089
>
> email: bgroot at gwdg.de
> http://www.mpibpc.gwdg.de/abteilungen/071/bgroot
> _______________________________________________________________________ 
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