amber

  • About: package of programs for molecular dynamics simulations of proteins and nucleic acids
  • Category: Molecular Biology
  • URL: http://ambermd.org
module (bold = default) build dependencies
amber/12/b1 gcc 4.4.7 openmpi/1.6.5/b1 cuda
amber/14/b1 openMPI 1.6.5, intel 2013.1.046 openmpi/1.6.5/b2
amber/14/b2 gcc 4.4.7, open MPI 1.6.5, cuda 5.5 openmpi/1.6.5/b1 cuda/5.5/b1
amber/14/b3 intel, impi impi/4.1.3.048
amber/14/b4 gcc 4.4.7, open MPI 1.6.5, cuda 6.5 openmpi/1.6.5/b1 cuda/6.5

also see Using Software.