Merge release-5-0 into master

[alexxy/gromacs.git] / src / gromacs / fileio / pdbio.c

diff --git a/src/gromacs/fileio/pdbio.c b/src/gromacs/fileio/pdbio.c
index 439b80a59e5bad4b3557ce447e0e0a3ff78f5bc4..af6709234154b3463b4e4aa9aadd20dfaca803b2 100644 (file)
--- a/src/gromacs/fileio/pdbio.c
+++ b/src/gromacs/fileio/pdbio.c
@@ -34,29 +34,32 @@
  * To help us fund GROMACS development, we humbly ask that you cite
  * the research papers on the package. Check out http://www.gromacs.org.
  */
+#include "pdbio.h"
+
 #ifdef HAVE_CONFIG_H
 #include <config.h>
 #endif
 
 #include <ctype.h>
+#include <stdlib.h>
 #include <string.h>
 
-#include "sysstuff.h"
+#include "gromacs/legacyheaders/copyrite.h"
+#include "gromacs/legacyheaders/types/ifunc.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/utility/futil.h"
+
+#include "gromacs/fileio/gmxfio.h"
+#include "gromacs/math/units.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/pbcutil/pbc.h"
+#include "gromacs/topology/atomprop.h"
+#include "gromacs/topology/residuetypes.h"
+#include "gromacs/topology/symtab.h"
+#include "gromacs/topology/topology.h"
 #include "gromacs/utility/cstringutil.h"
-#include "vec.h"
+#include "gromacs/utility/fatalerror.h"
 #include "gromacs/utility/smalloc.h"
-#include "typedefs.h"
-#include "symtab.h"
-#include "pdbio.h"
-#include "vec.h"
-#include "copyrite.h"
-#include "futil.h"
-#include "atomprop.h"
-#include "physics.h"
-#include "pbc.h"
-#include "gmxfio.h"
-
-#include "gromacs/legacyheaders/gmx_fatal.h"
 
 typedef struct {
     int ai, aj;
@@ -274,7 +277,7 @@ void write_pdbfile_indexed(FILE *out, const char *title,
     int               nlongname = 0;
     int               chainnum, lastchainnum;
     int               lastresind, lastchainresind;
-    gmx_residuetype_t rt;
+    gmx_residuetype_t*rt;
     const char       *p_restype;
     const char       *p_lastrestype;