PLUMED is an open-source, community-developed library that provides a wide range of different methods, which include:
tools to analyze the vast amounts of data produced by molecular dynamics (MD) simulations.
These techniques can be used in combination with a large toolbox of collective variables that describe complex processes in physics, chemistry, material science, and biology.
After connecting to Bessemer (see Establishing a SSH connection), start an interactive session with the
srun --pty bash -i command.
The latest version of PLUMED (currently version 2.6.2) is made available with the command:
$ module load PLUMED/2.6.2-intel-2020b
After this the PLUMED command can be run from the terminal prompt with the
Further documentation on the usage of PLUMED can be found at the following link: https://www.plumed.org/doc-v2.6/user-doc/html/index.html
PLUMED version 2.6.2 was installed using Easybuild 4.4.0, build details can be found