From c121949297eb0c0d128a75fc0599cf868544b470 Mon Sep 17 00:00:00 2001 From: David van der Spoel Date: Thu, 11 Jul 2013 15:25:07 +0200 Subject: [PATCH] Added citation to free volume paper. Change-Id: Idcc8d29813e13f259048e7ad6cc1f72b70cd7229 --- src/gromacs/gmxlib/copyrite.cpp | 5 +++++ src/gromacs/trajectoryanalysis/modules/freevolume.cpp | 1 + 2 files changed, 6 insertions(+) diff --git a/src/gromacs/gmxlib/copyrite.cpp b/src/gromacs/gmxlib/copyrite.cpp index d25544bda6..36ca652466 100644 --- a/src/gromacs/gmxlib/copyrite.cpp +++ b/src/gromacs/gmxlib/copyrite.cpp @@ -391,6 +391,11 @@ void please_cite(FILE *fp, const char *key) "Improving Efficiency of Large Time-scale Molecular Dynamics Simulations of Hydrogen-rich Systems", "J. Comput. Chem.", 20, 1999, "786-798" }, + { "Lourenco2013a", + "Tuanan C. Lourenco and Mariny F. C. Coelho and Teodorico C. Ramalho and David van der Spoel and Luciano T. Costa", + "Insights on the Solubility of CO2 in 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide from the Microscopic Point of View", + "Environ. Sci. Technol.", + 47, 2013, "7421-7429" }, { "Timneanu2004a", "N. Timneanu and C. Caleman and J. Hajdu and D. van der Spoel", "Auger Electron Cascades in Water and Ice", diff --git a/src/gromacs/trajectoryanalysis/modules/freevolume.cpp b/src/gromacs/trajectoryanalysis/modules/freevolume.cpp index 103057fe78..1102b2ee4a 100644 --- a/src/gromacs/trajectoryanalysis/modules/freevolume.cpp +++ b/src/gromacs/trajectoryanalysis/modules/freevolume.cpp @@ -340,6 +340,7 @@ void FreeVolume::finishAnalysis(int nframes) { please_cite(stdout, "Bondi1964a"); + please_cite(stdout, "Lourenco2013a"); } void -- 2.22.0