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Diffstat (limited to 'science/plumed/pkg-descr')
| -rw-r--r-- | science/plumed/pkg-descr | 19 |
1 files changed, 13 insertions, 6 deletions
diff --git a/science/plumed/pkg-descr b/science/plumed/pkg-descr index a4e5b42106c3..9d390c7b6028 100644 --- a/science/plumed/pkg-descr +++ b/science/plumed/pkg-descr @@ -1,6 +1,13 @@ -PLUMED is an open-source, community-developed library that provides a wide -range of different methods, which include: -* enhanced-sampling algorithms -* free-energy methods -* tools to analyze the vast amounts of data produced by molecular dynamics (MD) - simulations. +PLUMED is an open-source, community-developed library designed to work +with molecular dynamics (MD) simulations. It provides a comprehensive +toolbox of methods, including enhanced-sampling algorithms, free-energy +methods, and advanced tools for analyzing the vast amounts of data +produced by MD simulations. + +This versatile library offers a wide range of collective variables, +making it suitable for studying complex processes across various scientific +disciplines such as physics, chemistry, material science, and biology. +PLUMED seamlessly integrates with popular MD engines like GROMACS and +LAMMPS, as well as analysis tools such as VMD. Its API supports multiple +programming languages (C, C++, Fortran, Python) and its L-GPL license +ensures compatibility with proprietary software. |