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Martin Kurečka
Plumed AlphaFold
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0db0d1d1
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0db0d1d1
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7 years ago
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Massimiliano Bonomi
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fixed objectives and conclusions
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user-doc/tutorials/a-trieste-4.txt
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@@ -12,10 +12,10 @@ of the collective variables used, and estimating the associated error.
Once this tutorial is completed students will be able to:
- Write the PLUMED input file to perform metadynamics simulations
- Calculate free energ
ies
from a metadynamics run
-
Assert the choice of the collective variable
- Evaluate the convergence of metadynamics simulation
s
-
Compute the error associated to the reconstructed free energi
es
- Calculate
the
free energ
y
from a metadynamics run
-
Compute the error associated to the reconstructed free energy
- Evaluate the convergence of
a
metadynamics simulation
-
Assert the choice of the collective variabl
es
\section trieste-4-resources Resources
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