protocols::md Namespace Reference

Classes
class	CartesianMD
class	CartesianMDCreator
struct	Constraint
class	MDBase
struct	MDscheduleData
class	Rattle
class	Thermostat

Typedefs
typedef utility::pointer::shared_ptr < CartesianMD >	CartesianMDOP
typedef utility::pointer::shared_ptr < CartesianMD const >	CartesianMDCOP

Functions
static thread_local basic::Tracer	TR ("protocols.md.Cartesian")
static thread_local basic::Tracer	TR ("protocols.md")

Variables
static const core::Real	Boltzmann (0.83143435)
static const core::Real	GasConst (1.9872065e-3)
static const core::Real	MDForceFactor (418.4)
static const core::Real	MaxAccel (3e4)
static const core::Real	MaxVel (10.0)

Typedef Documentation

typedef utility::pointer::shared_ptr< CartesianMD const > protocols::md::CartesianMDCOP

typedef utility::pointer::shared_ptr< CartesianMD > protocols::md::CartesianMDOP

Function Documentation

static thread_local basic::Tracer protocols::md::TR ( "protocols.md"  )

static

static thread_local basic::Tracer protocols::md::TR ( "protocols.md.Cartesian"  )

static

Referenced by protocols::md::MDBase::cst_on_pose(), protocols::md::MDBase::parse_schfile(), and protocols::md::MDBase::report_as_silent().

Variable Documentation

const core::Real protocols::md::Boltzmann(0.83143435)

static

Referenced by protocols::md::Thermostat::get_temperature(), protocols::md::CartesianMD::initialize_velocity(), protocols::md::Thermostat::rescale(), and protocols::md::Thermostat::Thermostat().

const core::Real protocols::md::GasConst(1.9872065e-3)

static

Referenced by protocols::md::CartesianMD::do_MD().

const core::Real protocols::md::MaxAccel(3e4)

static

Referenced by protocols::md::CartesianMD::VelocityVerlet_Integrator().

const core::Real protocols::md::MaxVel(10.0)

static

Referenced by protocols::md::CartesianMD::VelocityVerlet_Integrator().

const core::Real protocols::md::MDForceFactor(418.4)

static

Referenced by protocols::md::CartesianMD::VelocityVerlet_Integrator().