CHARMMParameters.h File Reference

access to CHARMM force field parameters More...

#include "internal/charmm_helpers.h"
#include "ForceFieldParameters.h"
#include "charmm_topology.h"
#include "atom_macros.h"
#include <cereal/access.hpp>
#include <IMP/file.h>
#include <string>

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Classes
struct	IMP::atom::CHARMMBondParameters
	The parameters for a CHARMM bond or angle. More...
struct	IMP::atom::CHARMMDihedralParameters
	The parameters for a CHARMM dihedral or improper. More...
class	IMP::atom::CHARMMParameters
	CHARMM force field parameters. More...

Namespaces
	IMP
	Base functionality and abstract base classes for representation, scoring and sampling.
	IMP::atom
	Functionality for loading, creating, manipulating and scoring atomic structures.

Typedefs
typedef IMP::Vector < CHARMMBondParameters >	IMP::atom::CHARMMBondParametersList
typedef IMP::Vector < CHARMMDihedralParameters >	IMP::atom::CHARMMDihedralParametersList
typedef IMP::Vector < IMP::Pointer < CHARMMParameters > >	IMP::atom::CHARMMParametersList
typedef IMP::Vector < IMP::WeakPointer < CHARMMParameters > >	IMP::atom::CHARMMParametersListTemp

Functions
CHARMMParameters *	IMP::atom::get_all_atom_CHARMM_parameters ()
CHARMMParameters *	IMP::atom::get_heavy_atom_CHARMM_parameters ()

Detailed Description

access to CHARMM force field parameters

Copyright 2007-2022 IMP Inventors. All rights reserved.

Definition in file CHARMMParameters.h.