[gmx-users] Freeze groups

[David van der Spoel]

On Wed, 2003-11-26 at 11:44, wonghua at netcourrier.com wrote:
> Can someone give me a hint on using the freeze groups? I am studying multiple loops using SA and I would like to know how to freeze the nearby helix.
> 
> I think it needs the uses of .ndx files but haven't found help in the archives....
> 
define a group in an index file using make_ndx, name it e.g. helix and
then 
freeze_groups = helix
freeze_dim = y y y

> Thanks
> 
> Wong Hua
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. 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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