[gmx-users] can we analyse Gromacs trajectory with jupyter?

Albert mailmd2011 at gmail.com
Fri Jun 24 11:26:37 CEST 2016


Hello:

I recently found that Amber introduced jupyter (http://jupyter.org/) for 
MD simulation result analysis. One can analyze it through webpage and 
plot the result nicely with Python and R. One can even display the 
structure and trajectory in a webpage through WebGL technology. Here are 
examples:

http://ambermd.org/tutorials/analysis/tutorial_notebooks/nglview_notebook/
http://amber-md.github.io/pytraj/latest/tutorials/plot_correlation_matrix.html


I am just wondering can we do similar things in Gromacs?

Thx a lot

Albert



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