PLUMED-NEST

Project ID: plumID:21.033
Source: outside_path/plumed.11.dat
Originally used with PLUMED version: 2.6
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

INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details FILEfile to be included=../base.dat

The INCLUDE action with label  calculates somethingPATHCVThis action is not part of PLUMED and was included by using a LOAD command More details LABEL=pcv ARG=cBR,sBR,tBF INFILE=in_cycle.input HALFLIFE=10000 PACE=500 WALKERS_RSTRIDE=500 WALKERS_ID=11 WALKERS_N=12 WALKERS_DIR=out1

c: CONSTANTCreate a constant value that can be passed to actions More details VALUEthe single number that you would like to store=-1
The CONSTANT action with label c calculates the following quantities:
 Quantity   
 Description  
c.value
the constant value that was read from the plumed inputs: COMBINECalculate a polynomial combination of a set of other variables. More details ARGthe values input to this function=pcv.s,c COEFFICIENTS the coefficients of the arguments in your function=2.,1. PERIODICif the output of your function is periodic then you should specify the periodicity of the function=-1,1

The COMBINE action with label s calculates the following quantities:
 Quantity   
 Description  
s.value
a linear compbinationUPPER_WALLSDefines a wall for the value of one or more collective variables, More details ARGthe arguments on which the bias is acting=pcv.z ATthe positions of the wall=0.0  KAPPAthe force constant for the wall=50.0 EXP the powers for the walls=2 EPS the values for s_i in the expression for a wall=1 OFFSET the offset for the start of the wall=0 LABELa label for the action so that its output can be referenced in the input to other actions=tube

The UPPER_WALLS action with label tube calculates the following quantities:
 Quantity   
 Description  
tube.bias
the instantaneous value of the bias potential
tube.force2
the instantaneous value of the squared force due to this bias potentialMOVINGRESTRAINTAdd a time-dependent, harmonic restraint on one or more variables. More details ...
 VERSE Tells plumed whether the restraint is only acting for CV larger (U) or smaller (L) than the restraint or whether it is acting on both sides (B)=B
 LABELa label for the action so that its output can be referenced in the input to other actions=steer
 ARGthe labels of the scalars on which the bias will act=s
  STEP0This keyword appears multiple times as STEPx with x=0,1,2,=00000    AT0ATx is equal to the position of the restraint at time STEPx=0.0 KAPPA0KAPPAx is equal to the value of the force constants at time STEPx=5000.0
  STEP1This keyword appears multiple times as STEPx with x=0,1,2,=10000    AT1ATx is equal to the position of the restraint at time STEPx=0.5
... MOVINGRESTRAINT

The MOVINGRESTRAINT action with label steer calculates the following quantities:
 Quantity   
 Description  
steer.bias
the instantaneous value of the bias potential
steer.work
the total work performed changing this restraint
steer.force2
the instantaneous value of the squared force due to this bias potential
steer._cntr
one or multiple instances of this quantity can be referenced elsewhere in the input file
steer._work
one or multiple instances of this quantity can be referenced elsewhere in the input file
steer._kappa
one or multiple instances of this quantity can be referenced elsewhere in the input fileMOVINGRESTRAINTAdd a time-dependent, harmonic restraint on one or more variables. More details ...
 VERSE Tells plumed whether the restraint is only acting for CV larger (U) or smaller (L) than the restraint or whether it is acting on both sides (B)=B
 LABELa label for the action so that its output can be referenced in the input to other actions=repel
 ARGthe labels of the scalars on which the bias will act=tBF
  STEP0This keyword appears multiple times as STEPx with x=0,1,2,=00000    AT0ATx is equal to the position of the restraint at time STEPx=0.0 KAPPA0KAPPAx is equal to the value of the force constants at time STEPx=5000.0
  STEP1This keyword appears multiple times as STEPx with x=0,1,2,=10000    AT1ATx is equal to the position of the restraint at time STEPx=-1.57
... MOVINGRESTRAINT

#FLUSH STRIDE=500

The MOVINGRESTRAINT action with label repel calculates the following quantities:
 Quantity   
 Description  
repel.bias
the instantaneous value of the bias potential
repel.work
the total work performed changing this restraint
repel.force2
the instantaneous value of the squared force due to this bias potential
repel._cntr
one or multiple instances of this quantity can be referenced elsewhere in the input file
repel._work
one or multiple instances of this quantity can be referenced elsewhere in the input file
repel._kappa
one or multiple instances of this quantity can be referenced elsewhere in the input filePRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=* STRIDE the frequency with which the quantities of interest should be output=10 FILEthe name of the file on which to output these quantities=out1/COLVAR