[gmx-users] how to position-restain an index group

David van der Spoel spoel at xray.bmc.uu.se
Tue Dec 7 08:51:31 CET 2004


On Mon, 2004-12-06 at 20:46 -0600, Rui Qiao wrote:
> Dear Gromacs users:
> 
>        I made an index file containing certain number of atoms near a
> solid surface. Now I want to position restain these atoms and perform a
> short MD simulation. Is there an easy way to do this?
> 
genpr -h

>        Thanks.
> 
>        sincerely,
> 
>        Rui
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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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