* 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"
+#include "gmxpre.h"
-#include "config.h"
+#include "pdbio.h"
#include <ctype.h>
#include <stdlib.h>
#include <string.h>
+#include "gromacs/fileio/gmxfio.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/legacyheaders/types/ifunc.h"
#include "gromacs/math/units.h"
#include "gromacs/math/vec.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/topology/topology.h"
#include "gromacs/utility/cstringutil.h"
#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/futil.h"
#include "gromacs/utility/smalloc.h"
typedef struct {
if (atoms->pdbinfo && atoms->pdbinfo[i].bAnisotropic)
{
- fprintf(out, "ANISOU%5u %-4.4s%4.4s%c%4d%c %7d%7d%7d%7d%7d%7d\n",
+ fprintf(out, "ANISOU%5d %-4.4s%4.4s%c%4d%c %7d%7d%7d%7d%7d%7d\n",
(i+1)%100000, nm, resnm, ch, resnr,
(resic == '\0') ? ' ' : resic,
atoms->pdbinfo[i].uij[0], atoms->pdbinfo[i].uij[1],