sfree(index);
}
-static void cppar(t_param p[], int np, t_params plist[], int ftype)
+static void cppar(t_param p[], int np, gmx::ArrayRef<InteractionTypeParameters> plist, int ftype)
{
- int i, j, nral, nrfp;
- t_params *ps;
+ int i, j, nral, nrfp;
- ps = &plist[ftype];
+ InteractionTypeParameters *ps = &plist[ftype];
nral = NRAL(ftype);
nrfp = NRFP(ftype);
/* Generate pairs, angles and dihedrals from .rtp settings */
void gen_pad(t_nextnb *nnb, t_atoms *atoms, gmx::ArrayRef<const PreprocessResidue> rtpFFDB,
- t_params plist[], t_excls excls[], gmx::ArrayRef<MoleculePatchDatabase> globalPatches,
+ gmx::ArrayRef<InteractionTypeParameters> plist, t_excls excls[], gmx::ArrayRef<MoleculePatchDatabase> globalPatches,
bool bAllowMissing)
{
t_param *ang, *dih, *pai, *improper;