src/gromacs/gmxpreprocess/convparm.h

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  37
  38 #ifndef GMX_GMXPREPROCESS_CONVPARM_H
  39 #define GMX_GMXPREPROCESS_CONVPARM_H
  40
  41 #include "gromacs/utility/arrayref.h"
  42 #include "gromacs/utility/real.h"
  43
  44 struct gmx_mtop_t;
  45 struct MoleculeInformation;
  46 struct InteractionsOfType;
  47
  48 void convertInteractionsOfType(int atnr, gmx::ArrayRef<const InteractionsOfType> nbtypes,
  49                                gmx::ArrayRef<const MoleculeInformation> mi,
  50                                const MoleculeInformation *intermolecular_interactions,
  51                                int comb, double reppow, real fudgeQQ,
  52                                gmx_mtop_t *mtop);
  53
  54 #endif