BrownianDynamics.h File Reference

Simple molecular dynamics optimizer. More...

#include <IMP/atom/atom_config.h>
#include "Diffusion.h"
#include "Simulator.h"
#include "atom_macros.h"
#include <IMP/Optimizer.h>
#include <IMP/Particle.h>
#include <IMP/internal/units.h>
#include <IMP/algebra/Vector3D.h>

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Classes
class	IMP::atom::BrownianDynamics
	Simple Brownian dynamics simulator. 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.

Macros
#define	IMP_ATOM_DEFAULT_BD_RANDOM_POOL_SIZE   10000

Functions
double	IMP::atom::get_maximum_time_step_estimate (BrownianDynamics *bd)

Detailed Description

Simple molecular dynamics optimizer.

Copyright 2007-2018 IMP Inventors. All rights reserved.

Definition in file BrownianDynamics.h.