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Commit 30a16a36 authored by Giovanni Bussi's avatar Giovanni Bussi
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Merge remote-tracking branch 'origin/v2.5' into v2.5

parents 68061211 46008773
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......@@ -109,7 +109,7 @@ Variationally Enhanced Sampling:
\par Tuesday February 14
\ref lugano-1 "Tutorial 1": Introduction to PLUMED and analyzing molecular simulations
\ref marvel-1 "Tutorial 1": Introduction to PLUMED and analyzing molecular simulations
\par Wednesday February 15
......@@ -122,7 +122,7 @@ Variationally Enhanced Sampling:
\ref ves-lugano2017-ves2 "Tutorial 4": Further on variationally enhanced sampling
Tutorial 5: Advanced collective variables
- \ref lugano-2 "Path CVs"
- \ref marvel-2 "Path CVs"
- \ref belfast-10 "Multicolvar"
- \ref belfast-3 "Dimensionality reduction"
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......@@ -580,3 +580,5 @@ by reading https://arxiv.org/abs/1812.08213.
link: @subpage lugano-4
description: Calculating error bars
additional-files: lugano-4
......@@ -60,7 +60,7 @@ use the plumed \ref driver and VMD to choose to water molecule relatively far ap
\section lugano-6c-ex-2 Exercise 2: Proton transfer
In this exercise you are challanged to
- Select two water molecule to be kept far apart using UPPER_WALLS and the distance between their two oxygen atoms.
- Select two water molecule to be kept far apart using \ref LOWER_WALLS and the distance between their two oxygen atoms.
- Use the distances of an hydrogen from both oxygens to setup a first \ref METAD calculation to study the proton transfer between the selected water molecules
- Test more complex CVs maybe taking into accout the role of the other molecules.
- Think how to study proton transfer in a general way instead than between two specif water molecules and using a specific hydrongen.
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