blob: 9d390c7b6028816467ddb5694043ff2c3db091e2 (
plain) (
blame)
1
2
3
4
5
6
7
8
9
10
11
12
13
|
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.
|
