General information about plumed¶
PLUMED is an open source library for free energy calculations in molecular systems. More info at https://www.plumed.org/
It could be used standalone or, as it is more common, in combination with external MD packages such as Gromacs. For the latter case, please use the provided modules, e.g. gromacs/2021.4-plumed on Beskow and CP2K/9.1-cpeGNU-21.11 on Dardel.
Disclaimer¶
PDC takes no responsibility for the correctness of results produced with the binaries. Always evaluate the binaries against known results for the systems and properties you are investigating before using the binaries for production jobs.
Installed software¶
|
Cluster
|
How to use
|
How to build
|
|---|---|---|
|
Dardel
|
2.7.2
2.8.0
|