* 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 <assert.h>
-#include "typedefs.h"
-#include "types/commrec.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/types/commrec.h"
#include "gromacs/utility/smalloc.h"
-#include "update.h"
+#include "gromacs/legacyheaders/update.h"
#include "gromacs/math/vec.h"
-#include "macros.h"
-#include "physics.h"
-#include "names.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/math/units.h"
+#include "gromacs/legacyheaders/names.h"
#include "gromacs/utility/fatalerror.h"
-#include "txtdump.h"
-#include "nrnb.h"
+#include "gromacs/legacyheaders/txtdump.h"
+#include "gromacs/legacyheaders/nrnb.h"
#include "gromacs/random/random.h"
-#include "update.h"
-#include "mdrun.h"
+#include "gromacs/legacyheaders/update.h"
+#include "gromacs/legacyheaders/mdrun.h"
#define NTROTTERPARTS 3
Ek_new = vrescale_resamplekin(Ek, Ek_ref, opts->nrdf[i],
opts->tau_t[i]/dt,
- ir->ld_seed, step);
+ step, ir->ld_seed);
/* Analytically Ek_new>=0, but we check for rounding errors */
if (Ek_new <= 0)