PLUMED-NEST

Project ID: plumID:25.009
Source: T1_MetaD/hills/plumed-reweight-time-dependent-w0.dat
Originally used with PLUMED version: 2.8
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

# Read COLVAR file
cv1: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_WALKER_0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=cv1
The READ action with label cv1 calculates the following quantities:
 Quantity   
 Description  
cv1..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailscv2: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_WALKER_0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=cv2
The READ action with label cv2 calculates the following quantities:
 Quantity   
 Description  
cv2..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailsmetad: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_WALKER_0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=metad.rbias

# Define weights
The READ action with label metad calculates the following quantities:
 Quantity   
 Description  
metad..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailsweights: REWEIGHT_METADCalculate the weights configurations should contribute to the histogram in a simulation in which a metadynamics bias acts upon the system. More details TEMPthe system temperature=300

# Calculate histograms
The REWEIGHT_METAD action with label weights calculates the following quantities:
 Quantity   
 Description  
weights.value
the weight to use for this frame to negate the effect the metadynamics biashh: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=cv1,cv2 GRID_MIN the lower bounds for the grid=0.1,0.3 GRID_MAX the upper bounds for the grid=0.4,5.0 GRID_BINthe number of bins for the grid=255,255 BANDWIDTHthe bandwidths for kernel density esimtation=0.01,0.15 LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true CLEAR the frequency with whihc to clear the data that is being averaged=1900
The HISTOGRAM action with label hh calculates the following quantities:
 Quantity   
 Description  
hh.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh FILE the file on which to write the grid=histogram-w0.dat STRIDE the frequency with which the grid should be output to the file=1900