PLUMED

Description

PLUMED 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.

More information

- Homepage: https://www.plumed.org

Available Versions of PLUMED

Version	Module	Available on
2.9.0-foss-2023b	chem/PLUMED/2.9.0-foss-2023b	Noctua 2
2.9.0-foss-2023a	chem/PLUMED/2.9.0-foss-2023a	Noctua 1, Noctua 2
2.8.1-foss-2022a	chem/PLUMED/2.8.1-foss-2022a	Noctua 1, Noctua 2
2.8.0-foss-2021b	chem/PLUMED/2.8.0-foss-2021b	Noctua 1, Noctua 2
2.7.3-foss-2021b	chem/PLUMED/2.7.3-foss-2021b	Noctua 1, Noctua 2
2.7.2-foss-2021a	chem/PLUMED/2.7.2-foss-2021a	Noctua 1, Noctua 2
2.6.0-foss-2020a-Python-3.8.2	chem/PLUMED/2.6.0-foss-2020a-Python-3.8.2	Noctua 2
2.5.3-foss-2019b-Python-3.7.4	chem/PLUMED/2.5.3-foss-2019b-Python-3.7.4	Noctua 2

This table is generated automatically. If you need other versions please click pc2-support@uni-paderborn.de.

Usage Hints for PLUMED

If you need support in using this software or example job scipts please contact pc2-support@uni-paderborn.de.