TRR 146 IRTG School 2020 - Metadynamics Tutorial

Includes links and files related to Metadynamics tutorial in the TRR 146 IRTG School Dec 2020

• Note, the tutorial is a custom manual of PLUMED 2 and can be found here
• build-scripts includes script to download and build PLUMED and LAMMPS
• Slides includes the slides from the tutorial
• The tutorial can be found here
• The offical manual for version v2.7 can be found here (the tutorial is in a custom version of the 2.7 manual)
• Various other PLUMED tutorial can be found here

Some useful references about Metadynamics and enhanced sampling are:

• http://doi.org/10.1146/annurev-physchem-040215-112229
• https://doi.org/10.1038/s42254-020-0153-0
• https://doi.org/10.1007/978-3-319-44677-6_49
• https://doi.org/10.1007/978-1-4939-9608-7_21 (also https://arxiv.org/abs/1812.08213)

Other usefuls resources

• Graph of a rational switching function