See also the clustering script in part 7 of the supporting info here:
http://pubs.acs.org/doi/abs/10.1021/jp4125099
-Dan
On Thu, Jan 5, 2017 at 7:48 AM, Christina Bergonzo <cbergonzo.gmail.com> wrote:
> Hi,
>
> You can take a look at the supporting information of this paper:
> Highly sampled tetranucleotide and tetraloop motifs enable evaluation of
> common RNA force fields
> <https://scholar.google.com/citations?view_op=view_citation&hl=en&user=d4JoelsAAAAJ&citation_for_view=d4JoelsAAAAJ:In6cVmBjs0IC>
> C Bergonzo, NM Henriksen, DR Roe, TE Cheatham
> RNA 21 (9), 1578-1590
>
> http://rnajournal.cshlp.org/content/suppl/2015/06/19/rna.051102.115.DC1/SuppMaterial.pdf
>
> There is a CPPTRAJ command which performs combined clustering on 8
> trajectories.
>
> Hope this helps,
> Christina
>
> On Thu, Jan 5, 2017 at 5:59 AM, Mary Varughese <maryvj1985.gmail.com> wrote:
>
>> Sir
>>
>>
>> in combined clustering, could i compare more than two trajectories? If
>> so is there any difference in the command option
>> split ..Frameno...
>>
>> Also in split_summary.dat is there any useful information.
>>
>> how could i infer the convergence of the trajectory DBI , pSF
>>
>> Please give me some idea
>>
>>
>> Thanking you
>>
>>
>> mary varughese
>>
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>
>
>
> --
> ---------------------------------------------------------------------------------------
> Christina Bergonzo
> Postdoctoral Researcher
> Department of Medicinal Chemistry, University of Utah
> http://home.chpc.utah.edu/~cheatham/
> ---------------------------------------------------------------------------------------
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> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Thu Jan 05 2017 - 06:00:02 PST
