g_sham module in GROMACS helps in preparing the 2D plot for entropy or gibbs free energy using variables and time point. I am interested in coverting those plots into 3-D well projection. Can anyone help me in this.
Dear Rajiv
You will require first to extract the entropy/free-energy from xpm file then you can plot it with tools such as gnuplot, mathematica or matlab. for details look at the end of this page:
http://nmr.chem.uu.nl/~adrien/course/molmod/analysis2.html
Thanks for your answer. The link gives Mathematica notebook.
GNU plot is easier as it is freely available. Do you have experience of preparing energy-landscape well using GNU plot? If yes, I want a rough script to do this.
I recommend Mathematica to do this as script is already available in the above metioned link
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