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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=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 GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=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 GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=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 GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=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 GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=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 GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=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 GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=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 GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=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 GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=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 GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=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 GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=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 GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ffpucker11 FILE the file on which to write the grid=ffpucker11.dat