colvarproxygromacs.h File Reference

#include <map>
#include <string>
#include "external/colvars/colvarproxy.h"
#include "gromacs/utility/real.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/random/tabulatednormaldistribution.h"
#include "gromacs/random/threefry.h"
#include "gromacs/topology/atoms.h"
#include "gromacs/utility/logger.h"

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Description

Declares the Colvars GROMACS proxy class.

Author

Hubert Santuz huber.nosp@m.t.sa.nosp@m.ntuz@.nosp@m.gmai.nosp@m.l.com

Classes
class	gmx::ColvarProxyGromacs
	Implements a GROMACS version of colvarproxy. This class hold for the communication between colvars and GROMACS. 2 child class will inherit from this one: one during pre processing (ColvarsPreProcessor) and one during the simulation (ColvarsForceProvider). Most of the work needed for the communication will be implemented in this class. More...