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How to plot free energy landscape diagram?

Posted 9 years ago
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I want to plot free energy landscape graph by using script that I attached below.  I take this scrpit from an analysis tutorial of molecualr modeling .  I mention the link below.
 http://nmr.chem.uu.nl/~adrien/course/molmod/analysis2.html
Can anyone tell  me how I can plot free energy landscape graph by using mathemetica notebook.  I follow the guidelines of this tutorial to plot this daigram but it doesn't plot.
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POSTED BY: sidrarafi89
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At which line of the code do you run into problems?
What is the issue or what error message do you see at that line of code?

We don't have the file "free-energy-landscape.txt". Would it be possible for you to supply an example dataset like that in the notebook?
POSTED BY: Sean Clarke
There is no error message , file "free-energy-landscape.txt" is my file that I generated by using the commands below
 python xpm2txt.py -f free-energy-landscape.xpm -o free-energy-landscape.txt
it's 3 column text file like this :
1.26574 0.04494 16.30000
1.26861 0.04494 16.30000
1.27147 0.04494 16.30000
1.27434 0.04494 16.30000
1.27721 0.04494 16.30000
1.28007 0.04494 16.30000
1.28294 0.04494 16.30000
1.28580 0.04494 16.30000
1.28867 0.04494 16.30000
I took Mathematica script from http://nmr.chem.uu.nl/~adrien/course/molmod/FEL.nb and make changes in it has indicated .  Just change the directory path and file name that is free-energy-landscape.txt ., but I don't know how it run because when I ran it .  It takes my file as input but doesn't give any output results.  Kindly tell me how I can run this file.
I attached my free-energy-landscape.txt file, kindly do check it.
Attachments:
POSTED BY: sidrarafi89
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