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The new method to estimate T is helpful when doing adaptive sampling calculations. TICA is not finished, but it already has the necessary tools implemented. |
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Maybe worth finding out whether the reference to Zimmerman, 2018 is the most relevant one? Check, e.g. eq. 55 in Prinz et al, JCP, 2011 |
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Zimmerman et al. JCTC 2018, eq. 8
Compute transition probability matrix by a adding a pseudocount to count matrix and normalize it.
This method avoids creating sources or sinks, so it turns out to be adequate for adaptive sampling calculations.