Suggestions,
You can look at your plots from g_sham in an editor, and simply cut/past then add the matricies portion in something like qtiplot/Scidavis, or you need to back track and use covarience in the gromacs auxillary scripts (g_covar/aneig, etc...) and track down some matrix scripts to do the same thing. This later allows 2 single column PC's from your output files to be used to generate 2D plots with your dfined boundries, if you find the right one's (scripts), which are easier to manipulate than .xpm files. I found several dozen matrix manipulation scripts written in everything from C++ to perl and python...
Stephan Watkins
Gesendet: Montag, 20. Januar 2014 um 10:48 Uhr
Von: "pratibha kapoor" <[email protected]>
An: [email protected]
Betreff: [gmx-users] pca
Von: "pratibha kapoor" <[email protected]>
An: [email protected]
Betreff: [gmx-users] pca
Dear all gmx-users
I have done pca at three different temperatures and would like to draw
combined 2D free energy landscape (pc1 versus pc2) and 3D free energy
landscape (pc1, pc2, and energy).
I have used g_sham and created three different 2D plots. My question is how
to combine these three plots in order to get all information from three
temperatures in one plot? Also please guide me in creation of 3D plots.
Thanks.
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I have done pca at three different temperatures and would like to draw
combined 2D free energy landscape (pc1 versus pc2) and 3D free energy
landscape (pc1, pc2, and energy).
I have used g_sham and created three different 2D plots. My question is how
to combine these three plots in order to get all information from three
temperatures in one plot? Also please guide me in creation of 3D plots.
Thanks.
--
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https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
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