You may want to try hieragglo, it works the way you describe.
On Mon, Oct 17, 2022, 4:50 AM Sorin Draga via AMBER <amber.ambermd.org>
wrote:
> Hello everyone,
>
> I would like to cluster a trajectory output strictly based on a RMSD
> cutoff, without defining the number of output clusters (in other words, I
> would like the clustering algorithm to output whatever number of clusters
> it sees fit) and later adjust this based on the above rmsd cutoff.
> I have looked at the clustering tutorials and manual but I cannot find a
> suitable solution to this.
>
> Would *dme [<mask] *coupled with* [nofit] * be a solution in this case?
>
> Thank you and please excuse my ignorance on the matter.
>
> Kind regards,
>
> Sorin
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Received on Mon Oct 17 2022 - 04:00:02 PDT
