Merge release-4-6 into master

[alexxy/gromacs.git] / src / gromacs / legacyheaders / disre.h

diff --git a/src/gromacs/legacyheaders/disre.h b/src/gromacs/legacyheaders/disre.h
index 9648f68e653b3fbfcee2171b48ec5962ce33754d..646c7d1830b8bce42b83f9582aafbf33e6a96908 100644 (file)
--- a/src/gromacs/legacyheaders/disre.h
+++ b/src/gromacs/legacyheaders/disre.h
@@ -45,12 +45,14 @@ extern "C" {
 #endif
 
 void init_disres(FILE *fplog,const gmx_mtop_t *mtop,
-                       t_inputrec *ir,const t_commrec *cr,gmx_bool bPartDecomp,
-                       t_fcdata *fcd,t_state *state);
+                 t_inputrec *ir,const t_commrec *cr,gmx_bool bPartDecomp,
+                 t_fcdata *fcd,t_state *state, gmx_bool bIsREMD);
 /* Initiate *fcd data, must be called once, nbonds is the number 
  * of iatoms in the ilist of the idef struct.
  * When time averaging is used, the history is initialized in state,
  * unless it was read before from a checkpoint file.
+ * The implementation of distance restraints with -multi
+ * must differ according to whether REMD is active.
  */
 
 void calc_disres_R_6(const gmx_multisim_t *ms,