PLUMED 2.8.0-foss-2021bPLUMED is an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. Free energy calculations can be performed as a function of many order parameters with a particular focus on biological problems, using state of the art methods such as metadynamics, umbrella sampling and Jarzynski-equation based steered MD. The software, written in C++, can be easily interfaced with both fortran and C/C++ codes.
Accessing PLUMED 2.8.0-foss-2021b
To load the module for PLUMED 2.8.0-foss-2021b please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):
module load PLUMED/2.8.0-foss-2021b
BEAR Apps Version
For more information visit the PLUMED website.
Last modified on 20th January 2023