* the research papers on the package. Check out http://www.gromacs.org.
*/
/* This file is completely threadsafe - keep it that way! */
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
#include <math.h>
-#include "sysstuff.h"
-#include "physics.h"
-#include "vec.h"
-#include "smalloc.h"
-#include "typedefs.h"
-#include "gmx_fatal.h"
+#include <string.h>
+
+#include "gromacs/math/units.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/utility/smalloc.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/utility/fatalerror.h"
#include "topio.h"
#include "toputil.h"
#include "convparm.h"
-#include "names.h"
+#include "gromacs/legacyheaders/names.h"
#include "gpp_atomtype.h"
#include "gromacs/math/utilities.h"
newparam->harmonic.rB = old[2];
newparam->harmonic.krB = old[3];
break;
+ case F_RESTRANGLES:
+ newparam->harmonic.rA = old[0];
+ newparam->harmonic.krA = old[1];
+ break;
case F_MORSE:
newparam->morse.b0A = old[0];
newparam->morse.cbA = old[1];
newparam->pdihs.mult = round_check(old[2], -99, ftype, "multiplicity");
+ break;
+ case F_RESTRDIHS:
+ newparam->pdihs.phiA = old[0];
+ newparam->pdihs.cpA = old[1];
break;
case F_POSRES:
newparam->posres.fcA[XX] = old[0];
newparam->rbdihs.rbcB[i] = old[NR_RBDIHS+i];
}
break;
+ case F_CBTDIHS:
+ for (i = 0; (i < NR_CBTDIHS); i++)
+ {
+ newparam->cbtdihs.cbtcA[i] = old[i];
+ }
+ break;
case F_FOURDIHS:
/* Read the dihedral parameters to temporary arrays,
* and convert them to the computationally faster