colvarspreprocessor.h File Reference

#include <string>
#include <vector>
#include "gromacs/topology/atoms.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/keyvaluetreebuilder.h"
#include "gromacs/utility/real.h"
#include "gromacs/utility/vectypes.h"
#include "colvarproxygromacs.h"

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Description

Declares the Colvars GROMACS proxy class during pre-processing.

Author

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

Classes
class	gmx::ColvarsPreProcessor
	Class that read a colvars configuration file during pre-processing and retrieve the colvars atoms coordinates to be stored in tpr KVT. More...