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More discussion of the committor
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3_committor_analysis_tutorial.ipynb

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"source": [
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"You'll notice that this is *not* very sharply peaked in $\\psi$. This means that $\\psi$ alone probably doesn't define the transition state.\n",
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"\n",
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"If $\\psi$ did define the transition state, we'd probably expect the transition state to be around $\\psi = 0.6$ (\\~35 degrees) to $\\psi = 1.0$ (\\~60 degrees). Now, instead of keeping the committor probability fixed and histogramming the values of $\\psi$, let's see what the values of the committor are for a fixed value of $\\psi = \\psi^*$. If $\\psi^*$ defined the transition state, then the committor would always be 0.5 here."
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"If $\\psi$ did define the transition state, we'd probably expect the transition state to be around $\\psi = 0.6$ (\\~35 degrees) to $\\psi = 1.0$ (\\~60 degrees). Now, instead of keeping the committor probability fixed and histogramming the values of $\\psi$, let's see what the values of the committor are for a fixed value of $\\psi = \\psi^*$. If $\\psi^*$ defined the transition state, then the committor would always be 0.5 here.\n",
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"\n",
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"Previous, we tried to show that frames with a committor around 0.5 had a certain value of $\\psi$. Now we're trying to see if that value of $\\psi$ always implies that frames have a committor around 0.5. We need to show both directions before we can claim that the transition state is defined by that value of $\\psi$."
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"name": "python",
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"nbconvert_exporter": "python",
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"pygments_lexer": "ipython3",
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"version": "3.7.3"
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"version": "3.7.10"
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},
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"toc": {
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"base_numbering": 1,

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