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/real.h"
  42
  43 struct gmx_mtop_t;
  44 struct t_molinfo;
  45 struct t_params;
  46
  47 void convert_params(int atnr, t_params nbtypes[],
  48                     t_molinfo *mi,
  49                     t_molinfo *intermolecular_interactions,
  50                     int comb, double reppow, real fudgeQQ,
  51                     gmx_mtop_t *mtop);
  52
  53 #endif