Add tests for gmx chi

[alexxy/gromacs.git] / src / gromacs / gmxana / anadih.cpp

diff --git a/src/gromacs/gmxana/anadih.cpp b/src/gromacs/gmxana/anadih.cpp
index 7238fa320f9bd253ee694eddac64ea6944803329..0a6c4df2ea151cdd4abb6ec2b9a37cb348f1a289 100644 (file)
--- a/src/gromacs/gmxana/anadih.cpp
+++ b/src/gromacs/gmxana/anadih.cpp
@@ -848,6 +848,7 @@ void read_ang_dih(const char*             trj_fn,
 #define prev (1 - cur)
 
     snew(pbc, 1);
+    gmx::sfree_guard pbcGuard(pbc);
     read_first_x(oenv, &status, trj_fn, &t, &x, box);
 
     if (bAngles)
@@ -1025,9 +1026,9 @@ void read_ang_dih(const char*             trj_fn,
         /* Increment loop counter */
         teller++;
     } while (read_next_x(oenv, status, &t, x, box));
+    done_trx_xframe(status);
     close_trx(status);
 
-    sfree(x);
     sfree(angles[cur]);
     sfree(angles[prev]);