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-scriptsincludes script to download and build PLUMED and LAMMPSSlidesincludes 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