Description: PLUMED website
PLUMED is an open-source, community-developed library that provides a wide range of different methods, which include:
These techniques can be used in combination with a large toolbox of collective variables that describe complex processes in physics, chemistry, material science, and biology.
PLUMED works together with some of the most popular MD engines, such as ACEMD , Amber , DL_POLY , GROMACS , LAMMPS , NAMD , OpenMM , DFTB+ , ABIN , CP2K , i-PI , PINY-MD , and Quantum Espresso . In addition, PLUMED can be used to augment the capabilities of analysis tools such as VMD , HTMD , OpenPathSampling , and as a standalone utility to analyze pre-calculated MD trajectories.