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<div>Suggestions,</div>
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<div>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...</div>
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<div>Stephan Watkins</div>
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<div name="quote" style="margin:10px 5px 5px 10px; padding: 10px 0 10px 10px; border-left:2px solid #C3D9E5; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;">
<div style="margin:0 0 10px 0;"><b>Gesendet:</b> Montag, 20. Januar 2014 um 10:48 Uhr<br/>
<b>Von:</b> "pratibha kapoor" <kapoorpratibha7@gmail.com><br/>
<b>An:</b> gmx-users@gromacs.org<br/>
<b>Betreff:</b> [gmx-users] pca</div>
<div name="quoted-content">Dear all gmx-users<br/>
<br/>
I have done pca at three different temperatures and would like to draw<br/>
combined 2D free energy landscape (pc1 versus pc2) and 3D free energy<br/>
landscape (pc1, pc2, and energy).<br/>
I have used g_sham and created three different 2D plots. My question is how<br/>
to combine these three plots in order to get all information from three<br/>
temperatures in one plot? Also please guide me in creation of 3D plots.<br/>
<br/>
Thanks.<br/>
--<br/>
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