Merge release-4-6 into master

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

diff --git a/src/gromacs/mdlib/constr.c b/src/gromacs/mdlib/constr.c
index 519f5353251c4d2e003f76ada13a70171a4b4807..d25b81ec362d35f831ffab2c0e3d8cabe5af547a 100644 (file)
--- a/src/gromacs/mdlib/constr.c
+++ b/src/gromacs/mdlib/constr.c
@@ -641,7 +641,7 @@ gmx_bool constrain(FILE *fplog,gmx_bool bLog,gmx_bool bEner,
         if (constr->ed && delta_step > 0)
         {
             /* apply the essential dynamcs constraints here */
-            do_edsam(ir,step,md,cr,xprime,v,box,constr->ed);
+            do_edsam(ir,step,cr,xprime,v,box,constr->ed);
         }
     }
     
@@ -1251,9 +1251,9 @@ gmx_constr_t init_constraints(FILE *fplog,
     /* Initialize the essential dynamics sampling.
      * Put the pointer to the ED struct in constr */
     constr->ed = ed;
-    if (ed != NULL) 
+    if (ed != NULL || state->edsamstate.nED > 0)
     {
-        init_edsam(mtop,ir,cr,ed,state->x,state->box);
+        init_edsam(mtop,ir,cr,ed,state->x,state->box,&state->edsamstate);
     }
     
     constr->warn_mtop = mtop;