history_t Class Reference

#include <gromacs/mdtypes/state.h>

Description

History information for NMR distance and orientation restraints.

Often this is only used for reporting observables, and thus should not actually be part of the microstate. But with time-dependent restraining they are actually part of the (non-Markovian) microstate.

Todo:

Rename this with a more descriptive name.

Public Attributes
real	disre_initf
	The scaling factor for initializing the time av.
int	ndisrepairs
	The number of distance restraints.
real *	disre_rm3tav
	The r^-3 time averaged pair distances.
real	orire_initf
	The scaling factor for initializing the time av.
int	norire_Dtav
	The number of matrix element in dtav (npair*5)
real *	orire_Dtav
	The time averaged orientation tensors.

---

The documentation for this class was generated from the following files:

• src/gromacs/mdtypes/state.h
• src/gromacs/mdtypes/state.cpp