Thank you, Carlos! Will have a look
On Mon, Oct 17, 2022, 1:37 PM Carlos Simmerling <carlos.simmerling.gmail.com>
wrote:
> 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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>>
>
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Received on Mon Oct 17 2022 - 04:00:03 PDT
