src/gromacs/gmxpreprocess/hizzie.h

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  37
  38 #ifndef GMX_GMXPREPROCESS_HIZZIE_H
  39 #define GMX_GMXPREPROCESS_HIZZIE_H
  40
  41 #include "gromacs/math/vectypes.h"
  42 #include "gromacs/topology/atoms.h"
  43
  44 void set_histp(t_atoms *pdba, rvec *x, real angle, real distance);
  45 /* calculate HIStidine protonation state */
  46
  47 #endif