[gmx-users] Tethering

[David van der Spoel]

On Fri, 6 May 2005, Joanne Hanna wrote:

>Hi
>
>could anybody please tell me a way to tether my protein, rather than freeze it. I want to run an MD simulation with my enzyme and ligands tethered whilst allowing the solvent to move freely.
>
do you mean with position restraints?

>Thanks
>Jo
>
>Joanne Hanna
>Department of Chemistry
>University of Warwick
>Coventry
>CV4 7AL
>
>J.F.Hanna at warwick.ac.uk
>jfhanna at gmail.com
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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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