[gmx-users] position restraints

[David van der Spoel]

Michal Kolinski wrote:
> Thank you for help.
> 
> I've tried freeze option and also position restraints with
> 
> very large forces but in both cases coordinates
> 
> changed  during EM.

Then you merge back the old coordinates for the protein. If you have a 
reproducible case where freeze does not work during EM then please post 
a bugzilla.
> 
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-- 
David.
________________________________________________________________________
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
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