wholemoleculetransform.h File Reference

#include <vector>
#include "gromacs/pbcutil/mshift.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/listoflists.h"
#include "gromacs/utility/vectypes.h"

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Description

Declares the WholeMolecules class for generating whole molecules.

Author

Berk Hess hess@.nosp@m.kth..nosp@m.se

Classes
class	gmx::WholeMoleculeTransform
	This class manages a coordinate buffer with molecules not split over periodic boundary conditions for use in force calculations which require whole molecules. More...