outputValue
Output a trajectory for this colvar Context: colvar Acceptable values: boolean
Default value: on Description: If colvarsTrajFrequency is non-zero, the value of this
colvar is written to the trajectory file every
colvarsTrajFrequency steps in the column labeled
``name
''.
outputVelocity
Output a velocity trajectory for this colvar Context: colvar Acceptable values: boolean
Default value: off Description: If colvarsTrajFrequency is defined, the
finite-difference calculated velocity of this colvar are written
to the trajectory file under the label
``v_name
''.
outputEnergy
Output an energy trajectory for this colvar Context: colvar Acceptable values: boolean
Default value: off Description: This option applies only to extended Lagrangian colvars. If
colvarsTrajFrequency is defined, the kinetic energy of
the extended degree and freedom and the potential energy of the
restraining spring are are written to the trajectory file under
the labels ``Ek_name
'' and
``Ep_name
''.
outputTotalForce
Output a total force trajectory for this
colvar Context: colvar Acceptable values: boolean
Default value: off Description: If colvarsTrajFrequency is defined, the total force on this
colvar (i.e. the projection of all atomic total forces
onto this colvar -- see
equation (13.25) in
section ) are written to the trajectory
file under the label ``fs_name
''.
For extended Lagrangian colvars, the ``total force'' felt by the extended degree of freedom
is simply the force from the harmonic spring.
Note: not all components support this option. The
physical unit for this force is kcal/mol, divided by the colvar unit U.
outputAppliedForce
Output an applied force trajectory for this
colvar Context: colvar Acceptable values: boolean
Default value: off Description: If colvarsTrajFrequency is defined, the total force
applied on this colvar by Colvars biases are
written to the trajectory under the label
``fa_name
''.
For extended Lagrangian colvars, this force is actually applied to the
extended degree of freedom rather than the geometric colvar itself.
The physical unit for this
force is kcal/mol divided by the colvar unit.