Merge remote-tracking branch 'gerrit/release-4-6'

[alexxy/gromacs.git] / src / gromacs / mdlib / mdebin.c

diff --git a/src/gromacs/mdlib/mdebin.c b/src/gromacs/mdlib/mdebin.c
index 63dfc8b9e3ce0e74e6d28a8f1a9885ba56e7e9bf..d48ff48c241de96278c2dbfd82c3059e547d9258 100644 (file)
--- a/src/gromacs/mdlib/mdebin.c
+++ b/src/gromacs/mdlib/mdebin.c
@@ -578,9 +578,13 @@ t_mdebin *init_mdebin(ener_file_t fp_ene,
     md->dhc=NULL;
     if (ir->fepvals->separate_dhdl_file == esepdhdlfileNO )
     {
-        snew(md->dhc, 1);
+        /* Currently dh histograms are only written with dynamics */
+        if (EI_DYNAMICS(ir->eI))
+        {
+            snew(md->dhc, 1);
 
-        mde_delta_h_coll_init(md->dhc, ir);
+            mde_delta_h_coll_init(md->dhc, ir);
+        }
         md->fp_dhdl = NULL;
     }
     else