Merge release-5-0 into master

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

diff --git a/src/gromacs/mdlib/qmmm.c b/src/gromacs/mdlib/qmmm.c
index 91a8a2c98a6938e91394707f97e5b62bb5092c6e..d02396a71437f48b73a5a8586ce79b581df7a44a 100644 (file)
--- a/src/gromacs/mdlib/qmmm.c
+++ b/src/gromacs/mdlib/qmmm.c
@@ -39,33 +39,32 @@
 #endif
 
 #include <math.h>
-#include "sysstuff.h"
+#include <stdio.h>
+#include <stdlib.h>
+#include <string.h>
+
 #include "typedefs.h"
 #include "types/commrec.h"
 #include "macros.h"
-#include "gromacs/utility/smalloc.h"
-#include "physics.h"
+#include "gromacs/math/units.h"
 #include "macros.h"
-#include "vec.h"
+#include "gromacs/math/vec.h"
 #include "force.h"
-#include "invblock.h"
 #include "gromacs/fileio/confio.h"
 #include "names.h"
 #include "network.h"
-#include "pbc.h"
 #include "ns.h"
 #include "nrnb.h"
 #include "bondf.h"
-#include "mshift.h"
 #include "txtdump.h"
 #include "qmmm.h"
-#include <stdio.h>
-#include <string.h>
-#include "gmx_fatal.h"
 #include "typedefs.h"
-#include <stdlib.h>
-#include "mtop_util.h"
+#include "gromacs/topology/mtop_util.h"
 
+#include "gromacs/pbcutil/ishift.h"
+#include "gromacs/pbcutil/pbc.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/smalloc.h"
 
 /* declarations of the interfaces to the QM packages. The _SH indicate
  * the QM interfaces can be used for Surface Hopping simulations