Description
PLUMED is an open source library for free energy calculations in molecular systems which works whichworks together with some of the most popular molecular dynamics engines. Free energy calculations can be performed beperformed as a function of many order parameters with a particular focus on biological problems, using state usingstate 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
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