src/gromacs/gmxpreprocess/gen_ad.h

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  37
  38 #ifndef GMX_GMXPREPROCESS_GEN_AD_H
  39 #define GMX_GMXPREPROCESS_GEN_AD_H
  40
  41 #include "gromacs/gmxpreprocess/gpp_nextnb.h"
  42 #include "gromacs/gmxpreprocess/resall.h"
  43 #include "gromacs/gmxpreprocess/toputil.h"
  44
  45 void generate_excls(t_nextnb *nnb, int nrexcl, t_excls excls[]);
  46 void clean_excls(t_nextnb *nnb, int nrexcl, t_excls excls[]);
  47
  48 void gen_pad(t_nextnb *nnb, t_atoms *atoms, t_restp rtp[],
  49              t_params plist[], t_excls excls[], t_hackblock hb[],
  50              gmx_bool bAllowMissing);
  51
  52 #endif