[gmx-users] POSRES

[David van der Spoel]

On Wed, 2005-10-05 at 19:18 -0300, Alberto Malvezzi wrote:
> Dear friends,
> how do I define positions restraints to the protein AND the ligand in a 
> wet complex?
ch.5 in the manual. you need separate [ position_restraint ] section in
your topology.
> Thanks
> Alberto
> 
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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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