GROMACS molecule & liquid database

  title={GROMACS molecule & liquid database},
  author={David van der Spoel and Paul J. van Maaren and Carl Caleman},
  volume={28 5},
MOTIVATION The molecular dynamics simulation package GROMACS is a widely used tool used in a broad range of different applications within physics, chemistry and biology. It is freely available, user friendly and extremely efficient. The GROMACS software is force field agnostic, and compatible with many molecular dynamics force fields; coarse-grained… CONTINUE READING