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Commit 438299b5 authored by Massimiliano Bonomi's avatar Massimiliano Bonomi
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user-doc/tutorials/a-trieste-4.txt
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...@@ -297,7 +297,7 @@ equilibrate before the free energy along \f$ \psi \f$ can converge. ...@@ -297,7 +297,7 @@ equilibrate before the free energy along \f$ \psi \f$ can converge.
Try to repeat the analysis done in the previous exercize, i.e. calculate the estimate of the free energy as a function of time, Try to repeat the analysis done in the previous exercize, i.e. calculate the estimate of the free energy as a function of time,
first step to assess the convergence of this metadynamics simulation. first step to assess the convergence of this metadynamics simulation.
\section trieste-4-ex-3 Exercize 3: estimating the error in free-energies with block-analysis \section trieste-4-ex-3 Exercize 3: estimating the error in free-energies using block-analysis
In this exercise, we will calculate the error associated to the free-energy reconstructed In this exercise, we will calculate the error associated to the free-energy reconstructed
by a well-tempered metadynamics simulation. The free energy and the errors will be calculated by a well-tempered metadynamics simulation. The free energy and the errors will be calculated
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