New analysis tool to compute the free volume and total volume.

[alexxy/gromacs.git] / src / gromacs / gmxlib / typedefs.c

diff --git a/src/gromacs/gmxlib/typedefs.c b/src/gromacs/gmxlib/typedefs.c
index cc90ecb549dbf026ad2ece62aa7d2b4eae3f7057..82d2b4a5fd856e88c62330a43c0e1f05567fde56 100644 (file)
--- a/src/gromacs/gmxlib/typedefs.c
+++ b/src/gromacs/gmxlib/typedefs.c
@@ -651,6 +651,16 @@ void done_state(t_state *state)
         sfree(state->cg_gl);
     }
     state->cg_gl_nalloc = 0;
+    if (state->lambda)
+    {
+        sfree(state->lambda);
+    }
+    if (state->ngtc > 0)
+    {
+        sfree(state->nosehoover_xi);
+        sfree(state->nosehoover_vxi);
+        sfree(state->therm_integral);
+    }
 }
 
 static void do_box_rel(t_inputrec *ir, matrix box_rel, matrix b, gmx_bool bInit)