src/programs/mdrun/md.h

   1 /*
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   5  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
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  35 /*! \internal \file
  36  *
  37  * \brief Declares the integrators for molecular dynamics simulations
  38  *
  39  * \author David van der Spoel <david.vanderspoel@icm.uu.se>
  40  * \ingroup module_mdlib
  41  */
  42 #ifndef GMX_MDLIB_MD_H
  43 #define GMX_MDLIB_MD_H
  44
  45 #include "gromacs/mdlib/integrator.h"
  46
  47 namespace gmx
  48 {
  49
  50 //! MD simulations
  51 integrator_t do_md;
  52
  53 }      // namespace gmx
  54
  55 #endif // GMX_MDLIB_MD_H