[gmx-users] distance restraints for a pdb file?

David van der Spoel spoel at xray.bmc.uu.se
Wed Apr 18 19:29:39 CEST 2007

Robert Selwyne wrote:
> Dear All
> Is there any way of generating the distance restraints for a pdb file? Do
> any of the gromacs command support this problem or it has to be filled out
> manually?
> Best wishes
> Robert

what do you mean generating the distance restraints? from nMR data? in 
that case there is a script in src/contrib/scripts
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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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