Re: How would you "de-select" not to optimize residues not selected for clustering -- August 29, 2013 - 18:24

Hi,

The clustering 'free spins' structure is not really a structure.  It
is really everything that does not have a cluster ID.  From the
information from the first analysis without clustering, you will be
able to determine the spins which do not experience Rex.  You would
then deselect these in a clustering analysis to avoid unnecessary
calculations.  There is quite a lot of manual interaction in a
relaxation dispersion analysis!  This is not relax specific.

Regards,

Edward



On 29 August 2013 17:58, Troels Emtekær Linnet <tlinnet@xxxxxxxxx> wrote:
> Hi Edward.
>
> How would you "de-select" not to optimize residues not selected for
> clustering?
>
> Should I set clustering "free spins" to empty?
> Or should I de-select the spins I dont want?
>
> Best
> Troels
>
> Troels Emtekær Linnet
>
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