Plumed
PLUMED is a plugin that works with a large number of molecular dynamics codes (Codes interfaced with PLUMED ). It can be used to analyse features of the dynamics on-the-fly or to perform a wide variety of free energy methods. PLUMED can also work as a Command Line Tools to perform analysis on trajectories saved in most of the existing formats.
Topics
Details
- Maturity:
- Mature
- Cost:
- Free of charge
- Tool Type:
- plugin
- Added:
- 3/30/2018
- Last Updated:
- 12/10/2018
Operations
Publications
Tribello GA, Bonomi M, Branduardi D, Camilloni C, Bussi G. PLUMED 2: New feathers for an old bird. Computer Physics Communications. 2014;185(2):604-613. doi:10.1016/j.cpc.2013.09.018.
Bonomi M, Branduardi D, Bussi G, Camilloni C, Provasi D, Raiteri P, Donadio D, Marinelli F, Pietrucci F, Broglia RA, Parrinello M. PLUMED: A portable plugin for free-energy calculations with molecular dynamics. Computer Physics Communications. 2009;180(10):1961-1972. doi:10.1016/j.cpc.2009.05.011.