Re-added openmm paper

diff --git a/src/gmxlib/copyrite.c b/src/gmxlib/copyrite.c
index 2dd00d2851a279d4b30b38b8d95958f54313e314..1fcf3758c7601bee2a6927622d6a4fc5f95d4ab3 100644 (file)
--- a/src/gmxlib/copyrite.c
+++ b/src/gmxlib/copyrite.c
@@ -498,6 +498,11 @@ void please_cite(FILE *fp,const char *key)
       "Mechanism of selectivity in aquaporins and aquaglyceroporins",
       "PNAS",
       105, 2008, "1198-1203" },
+    { "Friedrich2009",
+      "M. S. Friedrichs, P. Eastman, V. Vaidyanathan, M. Houston, S. LeGrand, A. L. Beberg, D. L. Ensign, C. M. Bruns, and V. S. Pande",
+      "Accelerating Molecular Dynamic Simulation on Graphics Processing Units",
+      "J. Comp. Chem.",
+      30, 2009, "864-872" },
     { "Engin2010",
       "O. Engin, A. Villa, M. Sayar and B. Hess",
       "Driving Forces for Adsorption of Amphiphilic Peptides to Air-Water Interface",

diff --git a/src/kernel/md_openmm.c b/src/kernel/md_openmm.c
index 056764c8edcc1c844632e14cf5334e76e483be50..49681bb2213f9619faeed0ba145f234069fd8354 100644 (file)
--- a/src/kernel/md_openmm.c
+++ b/src/kernel/md_openmm.c
@@ -336,6 +336,7 @@ double do_md_openmm(FILE *fplog,t_commrec *cr,int nfile,const t_filenm fnm[],
     }
 
     openmmData = openmm_init(fplog, ommOptions, ir, top_global, top, mdatoms, fr, state);
+    please_cite(fplog,"Friedrichs2009");
 
     if (MASTER(cr))
     {