Merge release-5-0 into master

[alexxy/gromacs.git] / src / gromacs / gmxana / gmx_rms.c

diff --git a/src/gromacs/gmxana/gmx_rms.c b/src/gromacs/gmxana/gmx_rms.c
index 3962646be66226b11eadeef7d569ae65025032c9..46acd9435968232c0256f99e88275207efb8c886 100644 (file)
--- a/src/gromacs/gmxana/gmx_rms.c
+++ b/src/gromacs/gmxana/gmx_rms.c
@@ -38,17 +38,19 @@
 #include <config.h>
 #endif
 
-#include "gromacs/utility/smalloc.h"
 #include <math.h>
+#include <stdlib.h>
+
+#include "gromacs/utility/smalloc.h"
 #include "macros.h"
 #include "typedefs.h"
-#include "xvgr.h"
+#include "gromacs/fileio/xvgr.h"
 #include "copyrite.h"
 #include "gromacs/commandline/pargs.h"
-#include "vec.h"
+#include "gromacs/math/vec.h"
 #include "index.h"
-#include "gmx_fatal.h"
-#include "gromacs/fileio/futil.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/futil.h"
 #include "princ.h"
 #include "rmpbc.h"
 #include "gromacs/fileio/matio.h"
@@ -228,7 +230,7 @@ int gmx_rms(int argc, char *argv[])
     int             ePBC;
     t_iatom        *iatom = NULL;
 
-    matrix          box;
+    matrix          box = {{0}};
     rvec           *x, *xp, *xm = NULL, **mat_x = NULL, **mat_x2, *mat_x2_j = NULL, vec1,
                     vec2;
     t_trxstatus    *status;