Enable rtp angle/dihedral entries not connected by bonds

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / hackblock.h

diff --git a/src/gromacs/gmxpreprocess/hackblock.h b/src/gromacs/gmxpreprocess/hackblock.h
index 8d9fee3c1705e5932b2c97733b19f245651c29f1..4bbbb7d9e5e8690efbe07c9cad3d2147c71c9357 100644 (file)
--- a/src/gromacs/gmxpreprocess/hackblock.h
+++ b/src/gromacs/gmxpreprocess/hackblock.h
@@ -65,6 +65,7 @@ typedef struct {
     char  *s;              /* optional define string which gets copied from
                               .rtp/.tdb to .top and will be parsed by cpp
                               during grompp */
+    gmx_bool match;        /* boolean to mark that the entry has been found */
 } t_rbonded;
 
 typedef struct {