PLUMED-NEST

Project ID: plumID:22.028
Source: plumed_pucker.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

############ Representative plumed file to calculate histogram or free energy profiles along puckering coordinates from COLVAR file ########

### Here for glycan A2G2S2 ###

# Read pucker coordinates phi and theta from COLVAR file

puck1: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck1.theta STRIDE the frequency with which the file should be read=10
The READ action with label puck1 calculates the following quantities:
 Quantity   
 Description  
puck1..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuck2: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck2.theta STRIDE the frequency with which the file should be read=10
The READ action with label puck2 calculates the following quantities:
 Quantity   
 Description  
puck2..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuck3: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck3.theta STRIDE the frequency with which the file should be read=10
The READ action with label puck3 calculates the following quantities:
 Quantity   
 Description  
puck3..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuck4: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck4.theta STRIDE the frequency with which the file should be read=10
The READ action with label puck4 calculates the following quantities:
 Quantity   
 Description  
puck4..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuck5: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck5.theta STRIDE the frequency with which the file should be read=10
The READ action with label puck5 calculates the following quantities:
 Quantity   
 Description  
puck5..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuck6: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck6.theta STRIDE the frequency with which the file should be read=10
The READ action with label puck6 calculates the following quantities:
 Quantity   
 Description  
puck6..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuck7: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck7.theta STRIDE the frequency with which the file should be read=10
The READ action with label puck7 calculates the following quantities:
 Quantity   
 Description  
puck7..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuck8: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck8.theta STRIDE the frequency with which the file should be read=10
The READ action with label puck8 calculates the following quantities:
 Quantity   
 Description  
puck8..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuck9: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck9.theta STRIDE the frequency with which the file should be read=10
The READ action with label puck9 calculates the following quantities:
 Quantity   
 Description  
puck9..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuck10: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck10.theta STRIDE the frequency with which the file should be read=10
The READ action with label puck10 calculates the following quantities:
 Quantity   
 Description  
puck10..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuck11: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck11.theta STRIDE the frequency with which the file should be read=10

The READ action with label puck11 calculates the following quantities:
 Quantity   
 Description  
puck11..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuckp1: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck1.phi STRIDE the frequency with which the file should be read=10
The READ action with label puckp1 calculates the following quantities:
 Quantity   
 Description  
puckp1..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuckp2: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck2.phi STRIDE the frequency with which the file should be read=10
The READ action with label puckp2 calculates the following quantities:
 Quantity   
 Description  
puckp2..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuckp3: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck3.phi STRIDE the frequency with which the file should be read=10
The READ action with label puckp3 calculates the following quantities:
 Quantity   
 Description  
puckp3..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuckp4: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck4.phi STRIDE the frequency with which the file should be read=10
The READ action with label puckp4 calculates the following quantities:
 Quantity   
 Description  
puckp4..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuckp5: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck5.phi STRIDE the frequency with which the file should be read=10
The READ action with label puckp5 calculates the following quantities:
 Quantity   
 Description  
puckp5..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuckp6: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck6.phi STRIDE the frequency with which the file should be read=10
The READ action with label puckp6 calculates the following quantities:
 Quantity   
 Description  
puckp6..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuckp7: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck7.phi STRIDE the frequency with which the file should be read=10
The READ action with label puckp7 calculates the following quantities:
 Quantity   
 Description  
puckp7..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuckp8: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck8.phi STRIDE the frequency with which the file should be read=10
The READ action with label puckp8 calculates the following quantities:
 Quantity   
 Description  
puckp8..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuckp9: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck9.phi STRIDE the frequency with which the file should be read=10
The READ action with label puckp9 calculates the following quantities:
 Quantity   
 Description  
puckp9..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuckp10: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck10.phi STRIDE the frequency with which the file should be read=10
The READ action with label puckp10 calculates the following quantities:
 Quantity   
 Description  
puckp10..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailspuckp11: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVAR_theta.0 IGNORE_TIME ignore the time in the colvar file VALUESthe values to read from the file=puck11.phi STRIDE the frequency with which the file should be read=10

# Compute 1D histogram along theta

The READ action with label puckp11 calculates the following quantities:
 Quantity   
 Description  
puckp11..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailstheta1: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck1.theta BANDWIDTHthe bandwidths for kernel density esimtation=0.1 GRID_MIN the lower bounds for the grid=0 GRID_MAX the upper bounds for the grid=pi GRID_BINthe number of bins for the grid=200 CLEAR the frequency with whihc to clear the data that is being averaged=125000
The HISTOGRAM action with label theta1 calculates the following quantities:
 Quantity   
 Description  
theta1.value
the estimate of the histogram as a function of the argument that was obtainedtheta2: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck2.theta BANDWIDTHthe bandwidths for kernel density esimtation=0.1 GRID_MIN the lower bounds for the grid=0 GRID_MAX the upper bounds for the grid=pi GRID_BINthe number of bins for the grid=200 CLEAR the frequency with whihc to clear the data that is being averaged=125000
The HISTOGRAM action with label theta2 calculates the following quantities:
 Quantity   
 Description  
theta2.value
the estimate of the histogram as a function of the argument that was obtainedtheta3: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck3.theta BANDWIDTHthe bandwidths for kernel density esimtation=0.1 GRID_MIN the lower bounds for the grid=0 GRID_MAX the upper bounds for the grid=pi GRID_BINthe number of bins for the grid=200 CLEAR the frequency with whihc to clear the data that is being averaged=125000
The HISTOGRAM action with label theta3 calculates the following quantities:
 Quantity   
 Description  
theta3.value
the estimate of the histogram as a function of the argument that was obtainedtheta4: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck4.theta BANDWIDTHthe bandwidths for kernel density esimtation=0.1 GRID_MIN the lower bounds for the grid=0 GRID_MAX the upper bounds for the grid=pi GRID_BINthe number of bins for the grid=200 CLEAR the frequency with whihc to clear the data that is being averaged=125000
The HISTOGRAM action with label theta4 calculates the following quantities:
 Quantity   
 Description  
theta4.value
the estimate of the histogram as a function of the argument that was obtainedtheta5: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck5.theta BANDWIDTHthe bandwidths for kernel density esimtation=0.1 GRID_MIN the lower bounds for the grid=0 GRID_MAX the upper bounds for the grid=pi GRID_BINthe number of bins for the grid=200 CLEAR the frequency with whihc to clear the data that is being averaged=125000
The HISTOGRAM action with label theta5 calculates the following quantities:
 Quantity   
 Description  
theta5.value
the estimate of the histogram as a function of the argument that was obtainedtheta6: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck6.theta BANDWIDTHthe bandwidths for kernel density esimtation=0.1 GRID_MIN the lower bounds for the grid=0 GRID_MAX the upper bounds for the grid=pi GRID_BINthe number of bins for the grid=200 CLEAR the frequency with whihc to clear the data that is being averaged=125000
The HISTOGRAM action with label theta6 calculates the following quantities:
 Quantity   
 Description  
theta6.value
the estimate of the histogram as a function of the argument that was obtainedtheta7: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck7.theta BANDWIDTHthe bandwidths for kernel density esimtation=0.1 GRID_MIN the lower bounds for the grid=0 GRID_MAX the upper bounds for the grid=pi GRID_BINthe number of bins for the grid=200 CLEAR the frequency with whihc to clear the data that is being averaged=125000
The HISTOGRAM action with label theta7 calculates the following quantities:
 Quantity   
 Description  
theta7.value
the estimate of the histogram as a function of the argument that was obtainedtheta8: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck8.theta BANDWIDTHthe bandwidths for kernel density esimtation=0.1 GRID_MIN the lower bounds for the grid=0 GRID_MAX the upper bounds for the grid=pi GRID_BINthe number of bins for the grid=200 CLEAR the frequency with whihc to clear the data that is being averaged=125000
The HISTOGRAM action with label theta8 calculates the following quantities:
 Quantity   
 Description  
theta8.value
the estimate of the histogram as a function of the argument that was obtainedtheta9: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck9.theta BANDWIDTHthe bandwidths for kernel density esimtation=0.1 GRID_MIN the lower bounds for the grid=0 GRID_MAX the upper bounds for the grid=pi GRID_BINthe number of bins for the grid=200 CLEAR the frequency with whihc to clear the data that is being averaged=125000
The HISTOGRAM action with label theta9 calculates the following quantities:
 Quantity   
 Description  
theta9.value
the estimate of the histogram as a function of the argument that was obtainedtheta10: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck10.theta BANDWIDTHthe bandwidths for kernel density esimtation=0.1 GRID_MIN the lower bounds for the grid=0 GRID_MAX the upper bounds for the grid=pi GRID_BINthe number of bins for the grid=200 CLEAR the frequency with whihc to clear the data that is being averaged=125000
The HISTOGRAM action with label theta10 calculates the following quantities:
 Quantity   
 Description  
theta10.value
the estimate of the histogram as a function of the argument that was obtainedtheta11: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck11.theta BANDWIDTHthe bandwidths for kernel density esimtation=0.1 GRID_MIN the lower bounds for the grid=0 GRID_MAX the upper bounds for the grid=pi GRID_BINthe number of bins for the grid=200 CLEAR the frequency with whihc to clear the data that is being averaged=125000

The HISTOGRAM action with label theta11 calculates the following quantities:
 Quantity   
 Description  
theta11.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=theta1 FILE the file on which to write the grid=hhtheta1.dat STRIDE the frequency with which the grid should be output to the file=125000
The DUMPGRID action with label  calculates somethingDUMPGRIDOutput 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=theta2 FILE the file on which to write the grid=hhtheta2.dat STRIDE the frequency with which the grid should be output to the file=125000
DUMPGRIDOutput 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=theta3 FILE the file on which to write the grid=hhtheta3.dat STRIDE the frequency with which the grid should be output to the file=125000
DUMPGRIDOutput 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=theta4 FILE the file on which to write the grid=hhtheta4.dat STRIDE the frequency with which the grid should be output to the file=125000
DUMPGRIDOutput 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=theta5 FILE the file on which to write the grid=hhtheta5.dat STRIDE the frequency with which the grid should be output to the file=125000
DUMPGRIDOutput 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=theta6 FILE the file on which to write the grid=hhtheta6.dat STRIDE the frequency with which the grid should be output to the file=125000
DUMPGRIDOutput 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=theta7 FILE the file on which to write the grid=hhtheta7.dat STRIDE the frequency with which the grid should be output to the file=125000
DUMPGRIDOutput 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=theta8 FILE the file on which to write the grid=hhtheta8.dat STRIDE the frequency with which the grid should be output to the file=125000
DUMPGRIDOutput 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=theta9 FILE the file on which to write the grid=hhtheta9.dat STRIDE the frequency with which the grid should be output to the file=125000
DUMPGRIDOutput 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=theta10 FILE the file on which to write the grid=hhtheta10.dat STRIDE the frequency with which the grid should be output to the file=125000
DUMPGRIDOutput 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=theta11 FILE the file on which to write the grid=hhtheta11.dat STRIDE the frequency with which the grid should be output to the file=125000

# Deriving 2D free energy profiles for pucker theta-phi

pucker1: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck1.theta,puckp1.phi BANDWIDTHthe bandwidths for kernel density esimtation=0.1,0.1 GRID_MIN the lower bounds for the grid=0,-pi GRID_MAX the upper bounds for the grid=pi,pi GRID_BINthe number of bins for the grid=200,200 
The HISTOGRAM action with label pucker1 calculates the following quantities:
 Quantity   
 Description  
pucker1.value
the estimate of the histogram as a function of the argument that was obtainedpucker2: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck2.theta,puckp2.phi BANDWIDTHthe bandwidths for kernel density esimtation=0.1,0.1 GRID_MIN the lower bounds for the grid=0,-pi GRID_MAX the upper bounds for the grid=pi,pi GRID_BINthe number of bins for the grid=200,200 
The HISTOGRAM action with label pucker2 calculates the following quantities:
 Quantity   
 Description  
pucker2.value
the estimate of the histogram as a function of the argument that was obtainedpucker3: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck3.theta,puckp3.phi BANDWIDTHthe bandwidths for kernel density esimtation=0.1,0.1 GRID_MIN the lower bounds for the grid=0,-pi GRID_MAX the upper bounds for the grid=pi,pi GRID_BINthe number of bins for the grid=200,200 
The HISTOGRAM action with label pucker3 calculates the following quantities:
 Quantity   
 Description  
pucker3.value
the estimate of the histogram as a function of the argument that was obtainedpucker4: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck4.theta,puckp4.phi BANDWIDTHthe bandwidths for kernel density esimtation=0.1,0.1 GRID_MIN the lower bounds for the grid=0,-pi GRID_MAX the upper bounds for the grid=pi,pi GRID_BINthe number of bins for the grid=200,200 
The HISTOGRAM action with label pucker4 calculates the following quantities:
 Quantity   
 Description  
pucker4.value
the estimate of the histogram as a function of the argument that was obtainedpucker5: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck5.theta,puckp5.phi BANDWIDTHthe bandwidths for kernel density esimtation=0.1,0.1 GRID_MIN the lower bounds for the grid=0,-pi GRID_MAX the upper bounds for the grid=pi,pi GRID_BINthe number of bins for the grid=200,200 
The HISTOGRAM action with label pucker5 calculates the following quantities:
 Quantity   
 Description  
pucker5.value
the estimate of the histogram as a function of the argument that was obtainedpucker6: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck6.theta,puckp6.phi BANDWIDTHthe bandwidths for kernel density esimtation=0.1,0.1 GRID_MIN the lower bounds for the grid=0,-pi GRID_MAX the upper bounds for the grid=pi,pi GRID_BINthe number of bins for the grid=200,200 
The HISTOGRAM action with label pucker6 calculates the following quantities:
 Quantity   
 Description  
pucker6.value
the estimate of the histogram as a function of the argument that was obtainedpucker7: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck7.theta,puckp7.phi BANDWIDTHthe bandwidths for kernel density esimtation=0.1,0.1 GRID_MIN the lower bounds for the grid=0,-pi GRID_MAX the upper bounds for the grid=pi,pi GRID_BINthe number of bins for the grid=200,200 
The HISTOGRAM action with label pucker7 calculates the following quantities:
 Quantity   
 Description  
pucker7.value
the estimate of the histogram as a function of the argument that was obtainedpucker8: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck8.theta,puckp8.phi BANDWIDTHthe bandwidths for kernel density esimtation=0.1,0.1 GRID_MIN the lower bounds for the grid=0,-pi GRID_MAX the upper bounds for the grid=pi,pi GRID_BINthe number of bins for the grid=200,200
The HISTOGRAM action with label pucker8 calculates the following quantities:
 Quantity   
 Description  
pucker8.value
the estimate of the histogram as a function of the argument that was obtainedpucker9: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck9.theta,puckp9.phi BANDWIDTHthe bandwidths for kernel density esimtation=0.1,0.1 GRID_MIN the lower bounds for the grid=0,-pi GRID_MAX the upper bounds for the grid=pi,pi GRID_BINthe number of bins for the grid=200,200 
The HISTOGRAM action with label pucker9 calculates the following quantities:
 Quantity   
 Description  
pucker9.value
the estimate of the histogram as a function of the argument that was obtainedpucker10: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck10.theta,puckp10.phi BANDWIDTHthe bandwidths for kernel density esimtation=0.1,0.1 GRID_MIN the lower bounds for the grid=0,-pi GRID_MAX the upper bounds for the grid=pi,pi GRID_BINthe number of bins for the grid=200,200 
The HISTOGRAM action with label pucker10 calculates the following quantities:
 Quantity   
 Description  
pucker10.value
the estimate of the histogram as a function of the argument that was obtainedpucker11: HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ARGthe quantities that are being used to construct the histogram=puck11.theta,puckp11.phi BANDWIDTHthe bandwidths for kernel density esimtation=0.1,0.1 GRID_MIN the lower bounds for the grid=0,-pi GRID_MAX the upper bounds for the grid=pi,pi GRID_BINthe number of bins for the grid=200,200

The HISTOGRAM action with label pucker11 calculates the following quantities:
 Quantity   
 Description  
pucker11.value
the estimate of the histogram as a function of the argument that was obtainedffpucker1: CONVERT_TO_FESConvert a histogram to a free energy surface. 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=pucker1 TEMPthe temperature at which you are operating=310.15
The CONVERT_TO_FES action with label ffpucker1 calculates the following quantities:
 Quantity   
 Description  
ffpucker1.value
the free energy surfaceffpucker2: CONVERT_TO_FESConvert a histogram to a free energy surface. 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=pucker2 TEMPthe temperature at which you are operating=310.15
The CONVERT_TO_FES action with label ffpucker2 calculates the following quantities:
 Quantity   
 Description  
ffpucker2.value
the free energy surfaceffpucker3: CONVERT_TO_FESConvert a histogram to a free energy surface. 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=pucker3 TEMPthe temperature at which you are operating=310.15
The CONVERT_TO_FES action with label ffpucker3 calculates the following quantities:
 Quantity   
 Description  
ffpucker3.value
the free energy surfaceffpucker4: CONVERT_TO_FESConvert a histogram to a free energy surface. 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=pucker4 TEMPthe temperature at which you are operating=310.15
The CONVERT_TO_FES action with label ffpucker4 calculates the following quantities:
 Quantity   
 Description  
ffpucker4.value
the free energy surfaceffpucker5: CONVERT_TO_FESConvert a histogram to a free energy surface. 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=pucker5 TEMPthe temperature at which you are operating=310.15
The CONVERT_TO_FES action with label ffpucker5 calculates the following quantities:
 Quantity   
 Description  
ffpucker5.value
the free energy surfaceffpucker6: CONVERT_TO_FESConvert a histogram to a free energy surface. 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=pucker6 TEMPthe temperature at which you are operating=310.15
The CONVERT_TO_FES action with label ffpucker6 calculates the following quantities:
 Quantity   
 Description  
ffpucker6.value
the free energy surfaceffpucker7: CONVERT_TO_FESConvert a histogram to a free energy surface. 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=pucker7 TEMPthe temperature at which you are operating=310.15
The CONVERT_TO_FES action with label ffpucker7 calculates the following quantities:
 Quantity   
 Description  
ffpucker7.value
the free energy surfaceffpucker8: CONVERT_TO_FESConvert a histogram to a free energy surface. 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=pucker8 TEMPthe temperature at which you are operating=310.15
The CONVERT_TO_FES action with label ffpucker8 calculates the following quantities:
 Quantity   
 Description  
ffpucker8.value
the free energy surfaceffpucker9: CONVERT_TO_FESConvert a histogram to a free energy surface. 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=pucker9 TEMPthe temperature at which you are operating=310.15
The CONVERT_TO_FES action with label ffpucker9 calculates the following quantities:
 Quantity   
 Description  
ffpucker9.value
the free energy surfaceffpucker10: CONVERT_TO_FESConvert a histogram to a free energy surface. 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=pucker10 TEMPthe temperature at which you are operating=310.15
The CONVERT_TO_FES action with label ffpucker10 calculates the following quantities:
 Quantity   
 Description  
ffpucker10.value
the free energy surfaceffpucker11: CONVERT_TO_FESConvert a histogram to a free energy surface. 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=pucker11 TEMPthe temperature at which you are operating=310.15

The CONVERT_TO_FES action with label ffpucker11 calculates the following quantities:
 Quantity   
 Description  
ffpucker11.value
the free energy surfaceDUMPGRIDOutput 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=ffpucker1 FILE the file on which to write the grid=ffpucker1.dat 
DUMPGRIDOutput 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=ffpucker2 FILE the file on which to write the grid=ffpucker2.dat 
DUMPGRIDOutput 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=ffpucker3 FILE the file on which to write the grid=ffpucker3.dat 
DUMPGRIDOutput 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=ffpucker4 FILE the file on which to write the grid=ffpucker4.dat 
DUMPGRIDOutput 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=ffpucker5 FILE the file on which to write the grid=ffpucker5.dat 
DUMPGRIDOutput 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=ffpucker6 FILE the file on which to write the grid=ffpucker6.dat 
DUMPGRIDOutput 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=ffpucker7 FILE the file on which to write the grid=ffpucker7.dat
DUMPGRIDOutput 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=ffpucker8 FILE the file on which to write the grid=ffpucker8.dat
DUMPGRIDOutput 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=ffpucker9 FILE the file on which to write the grid=ffpucker9.dat 
DUMPGRIDOutput 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=ffpucker10 FILE the file on which to write the grid=ffpucker10.dat
DUMPGRIDOutput 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=ffpucker11 FILE the file on which to write the grid=ffpucker11.dat