GROMACS: A message-passing parallel molecular dynamics implementation
GROMACS: A message-passing parallel molecular dynamics implementation on resea.org. DOI 10.1016/0010-4655(95)00042-e. Herman J. C. Berendsen, David van der Spoel, Rudi van Drunen.
Herman J. C. Berendsen, David van der Spoel, Rudi van Drunen