Merge gromacs-4-6 into master

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / ter_db.c

diff --git a/src/gromacs/gmxpreprocess/ter_db.c b/src/gromacs/gmxpreprocess/ter_db.c
index b30d3b4d78e123d8e3f31909a9c025a602755270..0ff2a774331d87cd87a4e07f881781616bc9d1e7 100644 (file)
--- a/src/gromacs/gmxpreprocess/ter_db.c
+++ b/src/gromacs/gmxpreprocess/ter_db.c
@@ -470,8 +470,15 @@ t_hackblock *choose_ter(int nb,t_hackblock **tb,const char *title)
   int i,sel,ret;
   
   printf("%s\n",title);
-  for(i=0; (i<nb); i++) 
-    printf("%2d: %s\n",i,(*tb[i]).name);
+  for(i=0; (i<nb); i++)
+  {
+    char *advice_string = "";
+    if (0 == gmx_wcmatch("*ZWITTERION*", (*tb[i]).name))
+    {
+      advice_string = " (only use with zwitterions containing exactly one residue)";
+    }
+    printf("%2d: %s%s\n",i,(*tb[i]).name, advice_string);
+  }
   do {
     ret=fscanf(stdin,"%d",&sel);
   } while ((ret != 1) || (sel < 0) || (sel >= nb));