Merge branch 'release-4-5-patches'

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

diff --git a/src/mdlib/minimize.c b/src/mdlib/minimize.c
index 588544caf74446180f237dbc56dd5150a9cfae10..ebc766cbc8c9c34f9087e99637f90a0f03d70e6e 100644 (file)
--- a/src/mdlib/minimize.c
+++ b/src/mdlib/minimize.c
@@ -75,6 +75,7 @@
 #include "mtop_util.h"
 #include "gmxfio.h"
 #include "pme.h"
+#include "gmx_membed.h"
 
 typedef struct {
   t_state s;
@@ -878,6 +879,7 @@ double do_cg(FILE *fplog,t_commrec *cr,
              gmx_edsam_t ed,
              t_forcerec *fr,
              int repl_ex_nst,int repl_ex_seed,
+             gmx_membed_t *membed,
              real cpt_period,real max_hours,
              const char *deviceOptions,
              unsigned long Flags,
@@ -1398,6 +1400,7 @@ double do_lbfgs(FILE *fplog,t_commrec *cr,
                 gmx_edsam_t ed,
                 t_forcerec *fr,
                 int repl_ex_nst,int repl_ex_seed,
+                gmx_membed_t *membed,
                 real cpt_period,real max_hours,
                 const char *deviceOptions,
                 unsigned long Flags,
@@ -2032,6 +2035,7 @@ double do_steep(FILE *fplog,t_commrec *cr,
                 gmx_edsam_t ed,
                 t_forcerec *fr,
                 int repl_ex_nst,int repl_ex_seed,
+                gmx_membed_t *membed,
                 real cpt_period,real max_hours,
                 const char *deviceOptions,
                 unsigned long Flags,
@@ -2236,6 +2240,7 @@ double do_nm(FILE *fplog,t_commrec *cr,
              gmx_edsam_t ed,
              t_forcerec *fr,
              int repl_ex_nst,int repl_ex_seed,
+             gmx_membed_t *membed,
              real cpt_period,real max_hours,
              const char *deviceOptions,
              unsigned long Flags,