PLUMED-NEST-TEST-SITE

Project ID: plumID:25.009
Source: T1_MetaD/hills/plumed-reweight-time-dependent-w1.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_1 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_1 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_1 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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh FILE the file on which to write the grid=histogram-w1.dat STRIDE the frequency with which the grid should be output to the file=1900