GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

JOURNAL ARTICLE published September 2015 in SoftwareX

Research funded by European Research Council (258980) | Swedish Research Council (2013-5901) | ScalaLife EU infrastructure (261523)

Authors: Mark James Abraham | Teemu Murtola | Roland Schulz | Szilárd Páll | Jeremy C. Smith | Berk Hess | Erik Lindahl