Re: [AMBER] cpptraj clustering doubt

From: Christina Bergonzo <cbergonzo.gmail.com>
Date: Thu, 5 Jan 2017 07:48:21 -0500

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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Received on Thu Jan 05 2017 - 05:00:03 PST
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