[gmx-users] Wall feature

[David van der Spoel]

Luis Moux wrote:
> Hi
> 
> There is a new feature in the CVS version of GROMACS that lets one put
> walls at z=0.
> I was wondering whether there is a way to chemically link a residue to
> this wall.
> Or, if this were not possible, how could I fix the (absolute) position
> of a residue so that it doesn't translate during a simulation?
> 
> Thanks in advance,
> Luis Moux-Dominguez
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the walls are analytical, there are no particles. you probably want to 
make a wall from frozen particles. read up on the freeze option in mdp 
files.

-- 
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://folding.bmc.uu.se
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