* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
#include <math.h>
#include <string.h>
#include "gromacs/commandline/pargs.h"
#include "gromacs/utility/smalloc.h"
-#include "typedefs.h"
+#include "gromacs/legacyheaders/typedefs.h"
#include "gromacs/fileio/confio.h"
#include "gromacs/utility/futil.h"
-#include "macros.h"
+#include "gromacs/legacyheaders/macros.h"
#include "gromacs/math/vec.h"
-#include "index.h"
+#include "gromacs/topology/index.h"
#include "gromacs/utility/cstringutil.h"
#include "gromacs/utility/fatalerror.h"
#include "gmx_ana.h"
hi = d+dd;
fprintf(out, "%5d %5d %1d %5d %10d %10g %10g %10g %10g\n",
ind_grp[i]+1, ind_grp[j]+1, 1, k, 1,
- lo, hi, hi+1, 1.0);
+ lo, hi, hi+disre_up2, 1.0);
}
}
}