Dear Markowska:
For comparison of you can use pyPcazip.
"" Trajectory compression with *pyPcazip* provides the gateway to a range
of analysis methods that provide objective, quantitative and comparative
metrics related to convergence and sampling, and the *similarity between
one trajectory and another. "". *
https://bitbucket.org/ramonbsc/pypcazip/overview
https://pypi.python.org/pypi/pyPcazip
This program can compare trajectories based on RMSD, PCA analysis.
On Thu, 11 Feb 2016 at 11:16 Carlos Simmerling <carlos.simmerling.gmail.com>
wrote:
> We frequently read in 2 trajectories then do cluster analysis, and compare
> the population of each cluster in trajectory 1 vs 2.this gives you error
> bars on the population of each cluster. It's similar to 2drmsd but gives
> you something more quantitative.
> On Feb 11, 2016 4:27 AM, "Dr. Anselm Horn" <anselm.horn.fau.de> wrote:
>
> > Dear Karolina,
> >
> > AFAIK a 'reference' is limited to a single structure.
> >
> > Reading in two trajectories in a row should be no problem for cpptraj,
> > as you can give several trajin commands.
> > For the comparison of the two trajectories you could then use e.g. a
> > 2D-RMSD-plot or perform a cluster analysis on the combined trajectories
> > with a subsequent inspection of the distribution of the cluster
> > structures between the trajectories. Or you could monitor some other
> > properties of interest and compare those values.
> >
> > Regards,
> >
> > Anselm
> >
> >
> > Am 11.02.2016 10:07, schrieb Karolina Markowska:
>
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Tumbi Mohammed Khaled.
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Received on Thu Feb 11 2016 - 04:00:03 PST
