On Mon, Feb 22, 2016, Ayesha Kanwal wrote:
> I want to plot graph for conformational and configurational entropy.
> for that i want a python script that can calculate entropy and can plot
> graph. Anyone who can help me ?
It's not at all clear what you wish to plot, that is, what would be on the
x-and y-axes of your plot?
Remember that entropy is not a mechanical property of the system (unlike, say,
the energy). Special techniques (that depend upon the system) are needed
to make estimates. You should also state what you mean by "conformational and
configurational entropy": to me, those are synonyms.
...good luck....dac
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Received on Mon Feb 22 2016 - 05:30:04 PST
