User:Garcian5/sandbox

OpenMM is a complete implementation of all-atom protein molecular dynamics running entirely on a graphics processing unit (GPU), including all standard force field terms, integration, constraints, and implicit solvent. Molecualr Modeling on GPUs with OpenMM can be more than 700 times faster than a conventional implementation running on a single CPU core, as shown in the first iteration of OpenMM.

is a set of open source (under the GNU Lesser General Public License) routines that can add enhanced sampling capabilities to existing molecular dynamics codes. Plumed can be used as a stand-alone program (such as for post-dynamics analysis of trajectories) but this code was designed to “plug-in” to MD codes such as DL POLY CLASSIC, NAMD, GROMACS and AMBER and to extend them by providing a single implementation for free-energy methods such as umbrella sampling, metadynamics and steered MD.

History
PLUMED was released in 2011 and was developed by Massimiliano Bonomi, Davide Branduardi, Giovanni Bussi, Carlo Camilloni, Davide Provasi, Paolo Raiteri, Davide Donadio, Fabrizio Marinelli, Fabio Pietrucci, Francesco Luigi Gervasio and others.

PLUMED 2 was released in 2013 as a complete overhaul of the original code developed by Gareth A Tribello, Massimiliano Bonomi, Davide Branduardi, Carlo Camilloni and Giovanni Bussi. Notable differences include that the code is compiled separately from the MD codes it modifies, the code was rewritten in C++, and it now has a more object-oriented approach with the intent of being more developer friendly.