Merge release-5-0 into master

[alexxy/gromacs.git] / src / programs / mdrun / md.c

diff --git a/src/programs/mdrun/md.c b/src/programs/mdrun/md.c
index 018daf5d0efda975b0ea601a45306acf48843f08..f9b12a6559cb7f55af49453f7f1caf4e5b1f5c83 100644 (file)
--- a/src/programs/mdrun/md.c
+++ b/src/programs/mdrun/md.c
@@ -38,10 +38,10 @@
 #include <config.h>
 #endif
 
+#include <stdlib.h>
+
 #include "typedefs.h"
-#include "gromacs/utility/smalloc.h"
-#include "sysstuff.h"
-#include "vec.h"
+#include "gromacs/math/vec.h"
 #include "vcm.h"
 #include "mdebin.h"
 #include "nrnb.h"
@@ -54,8 +54,6 @@
 #include "md_support.h"
 #include "md_logging.h"
 #include "network.h"
-#include "xvgr.h"
-#include "physics.h"
 #include "names.h"
 #include "force.h"
 #include "disre.h"
@@ -84,17 +82,20 @@
 #include "types/iteratedconstraints.h"
 #include "nbnxn_cuda_data_mgmt.h"
 
-#include "gromacs/utility/gmxmpi.h"
 #include "gromacs/fileio/confio.h"
 #include "gromacs/fileio/trajectory_writing.h"
 #include "gromacs/fileio/trnio.h"
 #include "gromacs/fileio/trxio.h"
 #include "gromacs/fileio/xtcio.h"
-#include "gromacs/timing/wallcycle.h"
-#include "gromacs/timing/walltime_accounting.h"
+#include "gromacs/imd/imd.h"
+#include "gromacs/pbcutil/mshift.h"
+#include "gromacs/pbcutil/pbc.h"
 #include "gromacs/pulling/pull.h"
 #include "gromacs/swap/swapcoords.h"
-#include "gromacs/imd/imd.h"
+#include "gromacs/timing/wallcycle.h"
+#include "gromacs/timing/walltime_accounting.h"
+#include "gromacs/utility/gmxmpi.h"
+#include "gromacs/utility/smalloc.h"
 
 #ifdef GMX_FAHCORE
 #include "corewrap.h"