[gmx-users] symmetric restrains

[lgan at smail.uni-koeln.de]

Quoting David van der Spoel <spoel at xray.bmc.uu.se>:
Hello, David, thanks for your quick response!

> On Tue, 2004-06-01 at 15:21, lgan at smail.uni-koeln.de wrote:
> > Dear gmx-users,
> > I'm thinking of applying symmetrical restrains on the protein subunits
> during MD
> > with GROMACS. The sad thing I found out is that there was one message in
> 2002's
> > archieve which says that it's immpossible that time. I'm wondering if
> it's
> > possible now. Any help would be appreciated!
> 
> If you mean applying symmetry operations then it is not possible. 

Sad to know that. I ran a short MD in vacuum on my initial model which is
symmetric. But the final structure lost symmetry, and I can see clearly that the
movements are unsymmetrical. Can I do something to hold the symmetry somehow
better? Thanks!
lgan
> 
> > cheers!
> > lgan
> > 
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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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