Merge release-5-0 into master

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

diff --git a/src/gromacs/mdlib/sim_util.c b/src/gromacs/mdlib/sim_util.c
index 02e1248b2cbf4f380268f6ea1b21fe3d6a418182..3a11733bdd88e55404f2fa13abe1b94bea550337 100644 (file)
--- a/src/gromacs/mdlib/sim_util.c
+++ b/src/gromacs/mdlib/sim_util.c
@@ -48,19 +48,16 @@
 
 #include "typedefs.h"
 #include "gromacs/utility/cstringutil.h"
-#include "gromacs/utility/smalloc.h"
 #include "names.h"
 #include "txtdump.h"
-#include "pbc.h"
+#include "gromacs/pbcutil/pbc.h"
 #include "chargegroup.h"
-#include "vec.h"
+#include "gromacs/math/vec.h"
 #include "nrnb.h"
-#include "mshift.h"
 #include "mdrun.h"
 #include "sim_util.h"
 #include "update.h"
-#include "physics.h"
-#include "main.h"
+#include "gromacs/math/units.h"
 #include "mdatoms.h"
 #include "force.h"
 #include "bondf.h"
@@ -70,7 +67,6 @@
 #include "network.h"
 #include "calcmu.h"
 #include "constr.h"
-#include "xvgr.h"
 #include "copyrite.h"
 #include "domdec.h"
 #include "genborn.h"
@@ -84,9 +80,13 @@
 #include "../gmxlib/nonbonded/nb_kernel.h"
 #include "../gmxlib/nonbonded/nb_free_energy.h"
 
+#include "gromacs/legacyheaders/types/commrec.h"
+#include "gromacs/pbcutil/ishift.h"
+#include "gromacs/pbcutil/mshift.h"
 #include "gromacs/timing/wallcycle.h"
 #include "gromacs/timing/walltime_accounting.h"
 #include "gromacs/utility/gmxmpi.h"
+#include "gromacs/utility/smalloc.h"
 #include "gromacs/essentialdynamics/edsam.h"
 #include "gromacs/pulling/pull.h"
 #include "gromacs/pulling/pull_rotation.h"