BALL::VIEW::MolecularDynamicsDialog Class Reference
[QT Dialogs]

Dialog for performing MD simulations. More...

#include <molecularDynamicsDialog.h>

Inheritance diagram for BALL::VIEW::MolecularDynamicsDialog:

[legend]

List of all members.

Public Slots
virtual void	accept ()
Public Member Functions
	MolecularDynamicsDialog (QWidget *parent=NULL, const char *name="MolecularDynamicsDialog")
float	getSimulationTime () const
Size	getNumberOfSteps () const
void	setNumberOfSteps (Size steps)
void	setTimeStep (float time)
float	getTimeStep () const
bool	useMicroCanonical () const
void	setMicroCanonical (bool state)
void	setTemperature (float temperature)
float	getTemperature () const
String	getDCDFile () const
void	setDCDFile (const String &name)
Size	getStepsBetweenRefreshs () const
void	setAmberDialog (AmberConfigurationDialog *amber_dialog)
void	setCharmmDialog (CharmmConfigurationDialog *charmm_dialog)
void	setMMFF94Dialog (MMFF94ConfigurationDialog *dialog)
void	selectForceField (Position nr)
	Select the forcefield, nr are the enum values in MolecularStructure.
Position	selectedForceField () const
	Return the ID of the selected forcefield (see enum values in MolecularStructure).
Protected Slots
virtual void	enableDCDFileSelected ()
void	advancedOptions ()
void	chooseDCDFile ()
void	timeChanged ()

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Detailed Description

Dialog for performing MD simulations.