PLUMED-NEST-TEST-SITE

Project ID: plumID:21.033
Source: inside_path/plumed.9.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_cycle10.input HALFLIFE=-1 PACE=500 WALKERS_RSTRIDE=500 WALKERS_ID=9 WALKERS_N=12 WALKERS_DIR=in1

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 potentialRESTRAINTAdds harmonic and/or linear restraints on one or more variables. More details LABELa label for the action so that its output can be referenced in the input to other actions=attract ARGthe values the harmonic restraint acts upon=tBR,tBF ATthe position of the restraint=-1.5,0.0 KAPPA specifies that the restraint is harmonic and what the values of the force constants on each of the variables are=500.0,500.0

#FLUSH STRIDE=500

The RESTRAINT action with label attract calculates the following quantities:
 Quantity   
 Description  
attract.bias
the instantaneous value of the bias potential
attract.force2
the instantaneous value of the squared force due to this bias potentialPRINTPrint 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=in1/COLVAR