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<div>This is my own experience, someone may have better suggestions. First, you can look on the internet for .py .c++ or java matix manupulation tools/small programs run in bash shells. These allow the output from the g:sham or other (2d or 3d) to be turned into mtricies. These can then be fed into qtiplot/scidavis matricies. You can also sum/n all of these for guassians to get your overall realistic maps. qtiplot makes nice images of matricies with thermal maps...also, with the 1980 .xpm files, you can just cut these (the mtrix portion) and feed them into qtiplot, and do all fo the same. There's a setting for real values (0.335587) vs 0 and 1, but I forget these, and then do the same for your guassian, and plot these in the same software. Mostly all of this is based on simple matix manipulation .py or .C++ found for free on the internet....but are doable for any project....others might have better suggestions...</div>
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<div>Stephan Watkins</div>
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<div style="margin:0 0 10px 0;"><b>Gesendet:</b> Montag, 14. Oktober 2013 um 13:54 Uhr<br/>
<b>Von:</b> "pratibha kapoor" <kapoorpratibha7@gmail.com><br/>
<b>An:</b> gmx-users@gromacs.org<br/>
<b>Betreff:</b> [gmx-users] g_sham</div>
<div name="quoted-content">Dear all gromacs users<br/>
<br/>
I am creating free energy landscape using g_sham but my axis are not<br/>
getting labelled. I have searched the archive and found that using xmin and<br/>
xmax options we can label them.<br/>
I have first created my 2D projection xvg file using<br/>
g_anaeig -f *.xtc -s *.tpr -first 1 -last 2 -2d *.xvg -v *.trr<br/>
and then found min and max values for both the vectors,<br/>
say for vector1 min:-2.25 and max:1.83<br/>
and for vector2 min:-1.60 and max: 2.22<br/>
and then I have used:<br/>
g_sham -f *.xvg -ls *.xpm -notime -xmin -2.25 -1.60 0 -xmax 1.83 2.22 0<br/>
and then converted *.xpm to *.eps using<br/>
xpm2ps -f *.xpm -o *.eps -rainbow blue<br/>
This way I got eps file with only one axis(x axis) labelled and following<br/>
line appeared:<br/>
Auto tick spacing failed for Y-axis, guessing 1.19375<br/>
<br/>
I would like to ask is this way of labelling the axis correct? If yes, why<br/>
didn't y axis get labelled and how to solve the problem?<br/>
<br/>
Thanks in advance.<br/>
--<br/>
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