[gmx-users] Citing gromacs tools
rajatdesikan at gmail.com
Tue May 13 09:46:19 CEST 2014
Thank you for the clarification, Prof. David.
On Tuesday, May 13, 2014, David van der Spoel <spoel at xray.bmc.uu.se> wrote:
> 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
>> 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
>> 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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Rajat Desikan (Ph.D Scholar)
Prof. K. Ganapathy Ayappa's Lab (no 13),
Dept. of Chemical Engineering,
Indian Institute of Science, Bangalore
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