From: David van der Spoel <spoel@xray.bmc.uu.se>
Date: Thu, 11 Jul 2013 13:25:07 +0000 (+0200)
Subject: Added citation to free volume paper.
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=c121949297eb0c0d128a75fc0599cf868544b470;p=alexxy%2Fgromacs.git

Added citation to free volume paper.

Change-Id: Idcc8d29813e13f259048e7ad6cc1f72b70cd7229
---

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