[gmx-users] Citing gromacs tools
David van der Spoel
spoel at xray.bmc.uu.se
Tue May 13 08:20:56 CEST 2014
On 2014-05-13 07:52, rajat desikan wrote:
> Hi All,
> In many papers, the authors cite the main gromacs paper and simply declare
> in the methods section that they used the gromacs analysis suite. Is that a
> good practice or should each tool be cited separately?
> Eg: g_sas says:
> ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
> Frank Eisenhaber and Philip Lijnzaad and Patrick Argos and Chris Sander and
> Michael Scharf
> The Double Cube Lattice Method: Efficient Approaches to Numerical
> of Surface Area and Volume and to Dot Surface Contouring of Molecular
> J. Comp. Chem. 16 (1995) pp. 273-284
> -------- -------- --- Thank You --- -------- --------
Thanks for asking. It is good practice to cite specific algorithms if
they are available. In this particular case referees of your paper might
(and should!) demand that as well. To make this easier gromacs tools
print relevant references. You citing those papers also helps developers.
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
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