PLUMED-NEST

Project ID: plumID:19.068
Source: model/static-model/plumed.dat
Originally used with PLUMED version: 2.7
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

Click on the labels of the actions for more information on what each action computes

# vim:ft=plumedEnables syntax highlighting for PLUMED files in vim. See here for more details. 
UNITSThis command sets the internal units for the code. More details NATURAL use natural units

The UNITS action with label  calculates somethingpThe POSITION action with label p calculates the following quantities:
 Quantity   
 Type   
 Description  
p.x
scalar
the x-component of the atom position
p.y
scalar
the y-component of the atom position
p.z
scalar
the z-component of the atom position: POSITIONCalculate the components of the position of an atom or atoms. More details ATOMthe atom number=1

EXTERNALCalculate a restraint that is defined on a grid that is read during start up More details ...
  LABELa label for the action so that its output can be referenced in the input to other actions=externalThe EXTERNAL action with label external calculates the following quantities:
 Quantity   
 Type   
 Description  
external.bias
scalar
the instantaneous value of the bias potential 
  ARGthe labels of the scalars on which the bias will act=p.x 
  FILEthe name of the file containing the external potential=modelFES.grid 
  SCALE a factor that multiplies the external potential, useful to invert free energies=-0.9
... EXTERNAL

PRINTPrint quantities to a file. More details FMTthe format that should be used to output real numbers=%g STRIDE the frequency with which the quantities of interest should be output=500 FILEthe name of the file on which to output these quantities=Colvar.data ARGthe labels of the values that you would like to print to the file=p.x,p.y,external.*

ENDPLUMEDTerminate plumed input. More details

0-run: