Re: [AMBER] cpptraj clustering doubt

From: Mary Varughese <maryvj1985.gmail.com>
Date: Thu, 5 Jan 2017 20:53:38 +0530

Thank you very much.

It was very much helpful especially that script in supp material.

Thank you

On Thu, Jan 5, 2017 at 7:00 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:

> 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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> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >
> >
> >
> > --
> > ------------------------------------------------------------
> ---------------------------
> > Christina Bergonzo
> > Postdoctoral Researcher
> > Department of Medicinal Chemistry, University of Utah
> > http://home.chpc.utah.edu/~cheatham/
> > ------------------------------------------------------------
> ---------------------------
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > 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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>
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Received on Thu Jan 05 2017 - 07:30:03 PST
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