[gmx-users] NMR Structure determination

[David van der Spoel]

On Wed, 2004-12-01 at 09:27 +0100, Wolfram Gronwald wrote:
> Hi,
> 
> I am new to GROMACS and have the following question. Is it suited for
> standard Protein NMR structure calculation starting from an extended
> strand and if yes are there .mdp parameterfiles available to do so?
Works fine. Just take care that you turn on distance restraints.
> 
> Thanks a lot
> Wolfram 
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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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