Convert gmx_mtop_t to C++

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / toputil.cpp

diff --git a/src/gromacs/gmxpreprocess/toputil.cpp b/src/gromacs/gmxpreprocess/toputil.cpp
index b35187d69d7bd865214dd6d06a22cdc7b9d95d1c..330ffea8fb09dd5d219dd95226dde4f604b51733 100644 (file)
--- a/src/gromacs/gmxpreprocess/toputil.cpp
+++ b/src/gromacs/gmxpreprocess/toputil.cpp
@@ -188,7 +188,7 @@ void init_molinfo(t_molinfo *mol)
     init_block(&mol->cgs);
     init_block(&mol->mols);
     init_blocka(&mol->excls);
-    init_atom(&mol->atoms);
+    init_t_atoms(&mol->atoms, 0, FALSE);
 }
 
 /* FREEING MEMORY */