plumed version 2.6.2
Available on bridges2-gpu-ai.psc.access-ci.org
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.
Access from a Shell
Use the following command to load this software:
module load plumed/2.6.2
This command should be run on bridges2-gpu-ai.psc.access-ci.org
Scientific Domain
Computational Chemistry
Software Attributes
- Software Type:
- Module
- Name:
- plumed
- Version:
- 2.6.2
- Hosted On:
- bridges2-gpu-ai.psc.access-ci.org
- Provided By:
- psc.access-ci.org
- Last Updated:
- Quality Level:
- Production
- Audience:
- access-ci.org