protocols::md Namespace Reference

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

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

Variables
static basic::Tracer	TR ("protocols.md.Cartesian")
static numeric::random::RandomGenerator	RG (51853218)
static basic::Tracer	TR ("protocols.md")
static const core::Real	Boltzmann (0.83143435)
static const core::Real	GasConst (1.9872065e-3)
static const core::Real	MDForceFactor (418.4)

Typedef Documentation

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

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

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::MDForceFactor(418.4)

static

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

numeric::random::RandomGenerator protocols::md::RG(51853218)

static

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

static

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

static

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