Assuming that the plot you reference has potential energy histograms,
you can do this easily using the GitHub version of cpptraj, e.g.:
readdata OUTPUT/rem.out.0* separate name Out
runanalysis multihist out hist.eptot.agr normint bins 200 Out*[EPtot]
See the manual for full options of 'multhist' etc.
mdout_analyzer.py may also have options to do this.
-Dan
On Fri, Oct 20, 2017 at 7:17 AM, Albert <mailmd2011.gmail.com> wrote:
> Hello,
>
> I have finished a REMD in Amber. I am just wondering how can we generate
> data for the following plot in Amber:
>
>
> http://www.gromacs.org/.api/deki/files/210/=combined-pot.jpg
>
>
> This would be very helpful to check the quality of our simulation. My
> another question is: how shall we select a conformation which is
> presented in all simulation for analysis?
>
>
> thank you very much.
>
> Albert
>
>
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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 Fri Oct 20 2017 - 07:00:02 PDT
