Corrected REMD citation

The Fukushima paper relates exclusively to MC and spin glasses.

Change-Id: I58c4eafbe41b0cbd1f3e4afac6f34458ed27eea2

diff --git a/src/gmxlib/copyrite.c b/src/gmxlib/copyrite.c
index 48267b802710165b097675bea391acb608ec0deb..d01a9c0a1b741bea7298f8785c44ca0b43a199f8 100644 (file)
--- a/src/gmxlib/copyrite.c
+++ b/src/gmxlib/copyrite.c
@@ -528,7 +528,12 @@ void please_cite(FILE *fp,const char *key)
       "Optimizing working parameters of the smooth particle mesh Ewald algorithm in terms of accuracy and efficiency",
       "J. Chem. Phys. B",
       133, 2010, "034117"
-    }
+    },
+    { "Sugita1999a",
+      "Y. Sugita, Y. Okamoto",
+      "Replica-exchange molecular dynamics method for protein folding",
+      "Chem. Phys. Lett.",
+      314, 1999, "141-151" },
   };
 #define NSTR (int)asize(citedb)
   

diff --git a/src/kernel/repl_ex.c b/src/kernel/repl_ex.c
index e4c9089951c62f79243f1fbe8bb500b11e26158f..2ec6f533726be7ab1cc1cc42ca18332cd30b1aa6 100644 (file)
--- a/src/kernel/repl_ex.c
+++ b/src/kernel/repl_ex.c
@@ -180,7 +180,7 @@ gmx_repl_ex_t init_replica_exchange(FILE *fplog,
     switch (re->type)
     {
     case ereTEMP:
-        please_cite(fplog,"Hukushima96a");
+        please_cite(fplog,"Sugita1999a");
         if (ir->epc != epcNO)
         {
             re->bNPT = TRUE;