Architecture, implementation and parallelisation of the GROMOS software for biomolecular simulation

By Nathan Schmid, Clara D. Christ, M. Christen, Andreas P. Eichenberger, Wilfred F. van Gunsteren. Computer Physics Communications, 2012

307 citations recorded by the source corpus.

Subfields: Materials Chemistry, Molecular Biology, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/30b8e3d3d13754361e8f0aa7aa1ca9a53f9cb7c3

Citations in the corpus

• Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies (2014, unknown): “All calculations were performed using the GROMOS11 simulation package [35] in conjunction with the GROMOS 53A6 force field [19] as implemented in the ATB version 2.”