Project ID: plumID:20.018
Source: da-wt/plumed.inp
Originally used with PLUMED version: 2.6-mod
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
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UNITSThis command sets the internal units for the code. More detailsLENGTH=Athe units of lengthsTIME=fsthe units of timeENERGY=kcal/molthe units of energyLOADLoads a library, possibly defining new actions. More detailsFILE=../src/bias/ReweightGeomFES.cppfile to be loadedDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=1,2the pair of atom that we are calculating the distance betweenLABEL=d1a label for the action so that its output can be referenced in the input to other actionsDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=2,3the pair of atom that we are calculating the distance betweenLABEL=d2a label for the action so that its output can be referenced in the input to other actionsDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=3,4the pair of atom that we are calculating the distance betweenLABEL=d3a label for the action so that its output can be referenced in the input to other actionsDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=4,5the pair of atom that we are calculating the distance betweenLABEL=d4a label for the action so that its output can be referenced in the input to other actionsDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=5,6the pair of atom that we are calculating the distance betweenLABEl=d5a label for the action so that its output can be referenced in the input to other actionsDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=1,6the pair of atom that we are calculating the distance betweenLABEL=d6a label for the action so that its output can be referenced in the input to other actionsCOORDINATIONCalculate coordination numbers. More detailsGROUPA=4First list of atomsGROUPB=5Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=1.0The d_0 parameter of the switching functionR_0=1.0The r_0 parameter of the switching functionNN=1The n parameter of the switching functionLABEL=cn1a label for the action so that its output can be referenced in the input to other actionsCOORDINATIONCalculate coordination numbers. More detailsGROUPA=1First list of atomsGROUPB=6Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=1.0The d_0 parameter of the switching functionR_0=1.0The r_0 parameter of the switching functionNN=1The n parameter of the switching functionLABEL=cn2a label for the action so that its output can be referenced in the input to other actionsDENSITYCalculate functions of the density of atoms as a function of the box. This allows one to calculate More detailsSPECIES=5,6this keyword is used for colvars such as coordination numberLABEL=ethylenea label for the action so that its output can be referenced in the input to other actionsDENSITYCalculate functions of the density of atoms as a function of the box. This allows one to calculate More detailsSPECIES=1-4this keyword is used for colvars such as coordination numberLABEL=dienea label for the action so that its output can be referenced in the input to other actionsCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1-4the list of atoms which are involved the virtual atom's definitionLABEL=mol1a label for the action so that its output can be referenced in the input to other actionsCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=5-6the list of atoms which are involved the virtual atom's definitionLABEL=mol2a label for the action so that its output can be referenced in the input to other actionsCONTACT_MATRIX...Adjacency matrix in which two atoms are adjacent if they are within a certain cutoff. More detailsATOMS=ethylene,dieneThe list of atoms for which you would like to calculate the contact matrixSWITCH11={RATIONAL D_0=0.0 R_0=2.65}This keyword is used if you want to employ an alternative to the continuous switching function defined aboveSWITCH12={RATIONAL D_0=0.0 R_0=2.65}This keyword is used if you want to employ an alternative to the continuous switching function defined aboveSWITCH22={RATIONAL D_0=0.0 R_0=2.65}This keyword is used if you want to employ an alternative to the continuous switching function defined aboveLABEL=mat1 ... CONTACT_MATRIXa label for the action so that its output can be referenced in the input to other actionsCONTACT_MATRIX...Adjacency matrix in which two atoms are adjacent if they are within a certain cutoff. More detailsATOMS=ethylene,dieneThe list of atoms for which you would like to calculate the contact matrixSWITCH11={RATIONAL D_0=0.0 R_0=2.12 NN=24}This keyword is used if you want to employ an alternative to the continuous switching function defined aboveSWITCH12={RATIONAL D_0=0.0 R_0=2.12 NN=24}This keyword is used if you want to employ an alternative to the continuous switching function defined aboveSWITCH22={RATIONAL D_0=0.0 R_0=2.12 NN=24}This keyword is used if you want to employ an alternative to the continuous switching function defined aboveLABEL=mat2 ... CONTACT_MATRIXa label for the action so that its output can be referenced in the input to other actionsCOORDINATIONNUMBERCalculate the coordination numbers of atoms so that you can then calculate functions of the distribution of More detailsSPECIESA=ethylenethis keyword is used for colvars such as the coordination numberSPECIESB=dienethis keyword is used for colvars such as the coordination numberMEANtake the mean of these variablesSWITCH={GAUSSIAN D_0=1.8 R_0=0.3}This keyword is used if you want to employ an alternative to the continuous switching function defined aboveLABEL=cna label for the action so that its output can be referenced in the input to other actionsSPRINTCalculate SPRINT topological variables from an adjacency matrix. More detailsMATRIX=mat1the action that calculates the adjacency matrix vessel we would like to analyzeLABEL=ss1a label for the action so that its output can be referenced in the input to other actionsSPRINTCalculate SPRINT topological variables from an adjacency matrix. More detailsMATRIX=mat2the action that calculates the adjacency matrix vessel we would like to analyzeLABEL=ss2a label for the action so that its output can be referenced in the input to other actionsDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=mol1,mol2the pair of atom that we are calculating the distance betweenLABEL=dista label for the action so that its output can be referenced in the input to other actionsCOMBINECalculate a polynomial combination of a set of other variables. More detailsARG=d1,d2,d3,d4,d6the input for this action is the scalar output from one or more other actionsCOEFFICIENTS=-0.05,0.21,-0.08,0.69,0.69the coefficients of the arguments in your functionPERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functionLABEL=hldaa label for the action so that its output can be referenced in the input to other actionsCOMBINECalculate a polynomial combination of a set of other variables. More detailsARG=cn1,cn2the input for this action is the scalar output from one or more other actionsCOEFFICIENTS=0.5,0.5the coefficients of the arguments in your functionPERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functionLABEL=simplea label for the action so that its output can be referenced in the input to other actionsCOMBINECalculate a polynomial combination of a set of other variables. More detailsARG=ss1.coord-0,ss1.coord-1the input for this action is the scalar output from one or more other actionsCOEFFICIENTS=0.5,0.5the coefficients of the arguments in your functionPERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functionLABEL=sprnt1a label for the action so that its output can be referenced in the input to other actionsCOMBINECalculate a polynomial combination of a set of other variables. More detailsARG=ss2.coord-0,ss2.coord-1the input for this action is the scalar output from one or more other actionsCOEFFICIENTS=0.5,0.5the coefficients of the arguments in your functionPERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functionLABEL=sprnt2a label for the action so that its output can be referenced in the input to other actionsUPPER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=d4,d6the input for this action is the scalar output from one or more other actionsAT=5.0,5.0the positions of the wallKAPPA=50,50the force constant for the wallLABEL=wallsa label for the action so that its output can be referenced in the input to other actionsLOWER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=dist,sprnt1,sprnt2,cn.mean,simplethe input for this action is the scalar output from one or more other actionsAT=0,0,0,0,0the positions of the wallKAPPA=50,50,50,50,50the force constant for the wallLABEL=fakea label for the action so that its output can be referenced in the input to other actionsMETAD...Used to performed metadynamics on one or more collective variables. More detailsARG=hldathe input for this action is the scalar output from one or more other actionsSIGMA=0.15the widths of the Gaussian hillsHEIGHT=1.0the heights of the Gaussian hillsPACE=1000the frequency for hill additionBIASFACTOR=25use well tempered metadynamics and use this bias factorTEMP=600the system temperature - this is only needed if you are doing well-tempered metadynamicsGRID_MIN=1.0the lower bounds for the gridGRID_MAX=9.0the upper bounds for the gridGRID_BIN=1600the number of bins for the gridCALC_RCTcalculate the c(t) reweighting factor and use that to obtain the normalized bias [rbias=bias-rct]RCT_USTRIDE=1the update stride for calculating the $c(t) $ reweighting factorRESTART=YESallows per-action setting of restart (YES/NO/AUTO)LABEL=b1 ... METADa label for the action so that its output can be referenced in the input to other actionsREWEIGHT_BIASCalculate weights for ensemble averages that negate the effect the bias has on the region of phase space explored More detailsARG=b1.biasthe biases that must be taken into account when reweightingTEMP=600the system temperatureLABEL=biasa label for the action so that its output can be referenced in the input to other actionsREWEIGHT_GEOMFESARG=d4 TEMP=600 LABEL=gd4This action is not part of PLUMED and was included by using a LOAD command More detailsREWEIGHT_GEOMFESARG=hlda TEMP=600 LABEL=ghldaThis action is not part of PLUMED and was included by using a LOAD command More detailsREWEIGHT_GEOMFESARG=sprnt1 TEMP=600 LABEL=gsprnt1This action is not part of PLUMED and was included by using a LOAD command More detailsREWEIGHT_GEOMFESARG=sprnt2 TEMP=600 LABEL=gsprnt2This action is not part of PLUMED and was included by using a LOAD command More detailsREWEIGHT_GEOMFESARG=cn.mean TEMP=600 LABEL=gcnThis action is not part of PLUMED and was included by using a LOAD command More detailsREWEIGHT_GEOMFESARG=simple TEMP=600 LABEL=gsimpleThis action is not part of PLUMED and was included by using a LOAD command More detailsREWEIGHT_GEOMFESARG=d4,d6 TEMP=600 LABEL=g2dThis action is not part of PLUMED and was included by using a LOAD command More detailsHISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More detailsARG=d4the input for this action is the scalar output from one or more other actionsGRID_MIN=1.0the lower bounds for the gridGRID_MAX=6.0the upper bounds for the gridGRID_BIN=2000the number of bins for the gridBANDWIDTH=0.02the bandwidths for kernel density estimationLOGWEIGHTS=biaslist of actions that calculates log weights that should be used to weight configurations when calculating averagesLABEL=hd4a label for the action so that its output can be referenced in the input to other actionsHISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More detailsARG=hldathe input for this action is the scalar output from one or more other actionsGRID_MIN=1.0the lower bounds for the gridGRID_MAX=9.0the upper bounds for the gridGRID_BIN=4000the number of bins for the gridBANDWIDTH=0.01the bandwidths for kernel density estimationLOGWEIGHTS=biaslist of actions that calculates log weights that should be used to weight configurations when calculating averagesLABEL=hhldaa label for the action so that its output can be referenced in the input to other actionsHISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More detailsARG=sprnt1the input for this action is the scalar output from one or more other actionsGRID_MIN=0.0the lower bounds for the gridGRID_MAX=4.0the upper bounds for the gridGRID_BIN=2000the number of bins for the gridBANDWIDTH=0.02the bandwidths for kernel density estimationLOGWEIGHTS=biaslist of actions that calculates log weights that should be used to weight configurations when calculating averagesLABEL=hsprnt1a label for the action so that its output can be referenced in the input to other actionsHISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More detailsARG=sprnt2the input for this action is the scalar output from one or more other actionsGRID_MIN=-0.1the lower bounds for the gridGRID_MAX=2.4the upper bounds for the gridGRID_BIN=2500the number of bins for the gridBANDWIDTH=0.02the bandwidths for kernel density estimationLOGWEIGHTS=biaslist of actions that calculates log weights that should be used to weight configurations when calculating averagesLABEL=hsprnt2a label for the action so that its output can be referenced in the input to other actionsHISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More detailsARG=simplethe input for this action is the scalar output from one or more other actionsGRID_MIN=0.1the lower bounds for the gridGRID_MAX=0.8the upper bounds for the gridGRID_BIN=3500the number of bins for the gridBANDWIDTH=0.001the bandwidths for kernel density estimationLOGWEIGHTS=biaslist of actions that calculates log weights that should be used to weight configurations when calculating averagesLABEL=hsimplea label for the action so that its output can be referenced in the input to other actionsHISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More detailsARG=d4,d6the input for this action is the scalar output from one or more other actionsGRID_MIN=1.0,1.0the lower bounds for the gridGRID_MAX=2.0,2.0the upper bounds for the gridGRID_BIN=100,100the number of bins for the gridBANDWIDTH=0.04,0.04the bandwidths for kernel density estimationLOGWEIGHTS=biaslist of actions that calculates log weights that should be used to weight configurations when calculating averagesLABEL=h2dba label for the action so that its output can be referenced in the input to other actionsHISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More detailsARG=d4,d6the input for this action is the scalar output from one or more other actionsGRID_MIN=2.0,2.0the lower bounds for the gridGRID_MAX=6.0,6.0the upper bounds for the gridGRID_BIN=80,80the number of bins for the gridBANDWIDTH=0.20,0.20the bandwidths for kernel density estimationLOGWEIGHTS=biaslist of actions that calculates log weights that should be used to weight configurations when calculating averagesLABEL=h2dda label for the action so that its output can be referenced in the input to other actionsHISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More detailsARG=d4,d6the input for this action is the scalar output from one or more other actionsGRID_MIN=2.0,2.0the lower bounds for the gridGRID_MAX=2.2,2.2the upper bounds for the gridGRID_BIN=100,100the number of bins for the gridBANDWIDTH=0.02,0.02the bandwidths for kernel density estimationLOGWEIGHTS=biaslist of actions that calculates log weights that should be used to weight configurations when calculating averagesLABEL=h2da label for the action so that its output can be referenced in the input to other actionsHISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More detailsARG=d4the input for this action is the scalar output from one or more other actionsGRID_MIN=1.0the lower bounds for the gridGRID_MAX=6.0the upper bounds for the gridGRID_BIN=2000the number of bins for the gridBANDWIDTH=0.02the bandwidths for kernel density estimationLOGWEIGHTS=bias,gd4list of actions that calculates log weights that should be used to weight configurations when calculating averagesLABEL=hd4ga label for the action so that its output can be referenced in the input to other actionsHISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More detailsARG=hldathe input for this action is the scalar output from one or more other actionsGRID_MIN=1.0the lower bounds for the gridGRID_MAX=9.0the upper bounds for the gridGRID_BIN=4000the number of bins for the gridBANDWIDTH=0.01the bandwidths for kernel density estimationLOGWEIGHTS=bias,ghldalist of actions that calculates log weights that should be used to weight configurations when calculating averagesLABEL=hhldaga label for the action so that its output can be referenced in the input to other actionsHISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More detailsARG=sprnt1the input for this action is the scalar output from one or more other actionsGRID_MIN=0.0the lower bounds for the gridGRID_MAX=4.0the upper bounds for the gridGRID_BIN=2000the number of bins for the gridBANDWIDTH=0.02the bandwidths for kernel density estimationLOGWEIGHTS=bias,gsprnt1list of actions that calculates log weights that should be used to weight configurations when calculating averagesLABEL=hsprnt1ga label for the action so that its output can be referenced in the input to other actionsHISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More detailsARG=sprnt2the input for this action is the scalar output from one or more other actionsGRID_MIN=-0.1the lower bounds for the gridGRID_MAX=2.4the upper bounds for the gridGRID_BIN=2500the number of bins for the gridBANDWIDTH=0.02the bandwidths for kernel density estimationLOGWEIGHTS=bias,gsprnt2list of actions that calculates log weights that should be used to weight configurations when calculating averagesLABEL=hsprnt2ga label for the action so that its output can be referenced in the input to other actionsHISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More detailsARG=simplethe input for this action is the scalar output from one or more other actionsGRID_MIN=0.1the lower bounds for the gridGRID_MAX=0.8the upper bounds for the gridGRID_BIN=3500the number of bins for the gridBANDWIDTH=0.001the bandwidths for kernel density estimationLOGWEIGHTS=bias,gsimplelist of actions that calculates log weights that should be used to weight configurations when calculating averagesLABEL=hsimplega label for the action so that its output can be referenced in the input to other actionsHISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More detailsARG=d4,d6the input for this action is the scalar output from one or more other actionsGRID_MIN=2.0,2.0the lower bounds for the gridGRID_MAX=2.2,2.2the upper bounds for the gridGRID_BIN=100,100the number of bins for the gridBANDWIDTH=0.02,0.02the bandwidths for kernel density estimationLOGWEIGHTS=bias,g2dlist of actions that calculates log weights that should be used to weight configurations when calculating averagesLABEL=h2dga label for the action so that its output can be referenced in the input to other actionsCONVERT_TO_FESConvert a histogram, H(x), to a free energy surface using F(x) = -k_B T ln H(x). More detailsGRID=hd4the action that creates the input grid you would like to useTEMP=600the temperature at which you are operatingLABEL=fd4a label for the action so that its output can be referenced in the input to other actionsCONVERT_TO_FESConvert a histogram, H(x), to a free energy surface using F(x) = -k_B T ln H(x). More detailsGRID=hhldathe action that creates the input grid you would like to useTEMP=600the temperature at which you are operatingLABEL=fhldaa label for the action so that its output can be referenced in the input to other actionsCONVERT_TO_FESConvert a histogram, H(x), to a free energy surface using F(x) = -k_B T ln H(x). More detailsGRID=hsprnt1the action that creates the input grid you would like to useTEMP=600the temperature at which you are operatingLABEL=fsprnt1a label for the action so that its output can be referenced in the input to other actionsCONVERT_TO_FESConvert a histogram, H(x), to a free energy surface using F(x) = -k_B T ln H(x). More detailsGRID=hsprnt2the action that creates the input grid you would like to useTEMP=600the temperature at which you are operatingLABEL=fsprnt2a label for the action so that its output can be referenced in the input to other actionsCONVERT_TO_FESConvert a histogram, H(x), to a free energy surface using F(x) = -k_B T ln H(x). More detailsGRID=hsimplethe action that creates the input grid you would like to useTEMP=600the temperature at which you are operatingLABEL=fsimplea label for the action so that its output can be referenced in the input to other actionsCONVERT_TO_FESConvert a histogram, H(x), to a free energy surface using F(x) = -k_B T ln H(x). More detailsGRID=h2dbthe action that creates the input grid you would like to useTEMP=600the temperature at which you are operatingLABEL=f2dba label for the action so that its output can be referenced in the input to other actionsCONVERT_TO_FESConvert a histogram, H(x), to a free energy surface using F(x) = -k_B T ln H(x). More detailsGRID=h2ddthe action that creates the input grid you would like to useTEMP=600the temperature at which you are operatingLABEL=f2dda label for the action so that its output can be referenced in the input to other actionsCONVERT_TO_FESConvert a histogram, H(x), to a free energy surface using F(x) = -k_B T ln H(x). More detailsGRID=h2dthe action that creates the input grid you would like to useTEMP=600the temperature at which you are operatingLABEL=f2da label for the action so that its output can be referenced in the input to other actionsCONVERT_TO_FESConvert a histogram, H(x), to a free energy surface using F(x) = -k_B T ln H(x). More detailsGRID=hd4gthe action that creates the input grid you would like to useTEMP=600the temperature at which you are operatingLABEL=fd4ga label for the action so that its output can be referenced in the input to other actionsCONVERT_TO_FESConvert a histogram, H(x), to a free energy surface using F(x) = -k_B T ln H(x). More detailsGRID=hhldagthe action that creates the input grid you would like to useTEMP=600the temperature at which you are operatingLABEL=fhldaga label for the action so that its output can be referenced in the input to other actionsCONVERT_TO_FESConvert a histogram, H(x), to a free energy surface using F(x) = -k_B T ln H(x). More detailsGRID=hsprnt1gthe action that creates the input grid you would like to useTEMP=600the temperature at which you are operatingLABEL=fsprnt1ga label for the action so that its output can be referenced in the input to other actionsCONVERT_TO_FESConvert a histogram, H(x), to a free energy surface using F(x) = -k_B T ln H(x). More detailsGRID=hsprnt2gthe action that creates the input grid you would like to useTEMP=600the temperature at which you are operatingLABEL=fsprnt2ga label for the action so that its output can be referenced in the input to other actionsCONVERT_TO_FESConvert a histogram, H(x), to a free energy surface using F(x) = -k_B T ln H(x). More detailsGRID=hsimplegthe action that creates the input grid you would like to useTEMP=600the temperature at which you are operatingLABEL=fsimplega label for the action so that its output can be referenced in the input to other actionsCONVERT_TO_FESConvert a histogram, H(x), to a free energy surface using F(x) = -k_B T ln H(x). More detailsGRID=h2dgthe action that creates the input grid you would like to useTEMP=600the temperature at which you are operatingLABEL=f2dga label for the action so that its output can be referenced in the input to other actionsDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=fd4the action that creates the grid you would like to outputFILE=fesd4the file on which to write the gridSTRIDE=5000000the frequency with which the grid should be output to the fileDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=fhldathe action that creates the grid you would like to outputFILE=feshldathe file on which to write the gridSTRIDE=5000000the frequency with which the grid should be output to the fileDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=fsprnt1the action that creates the grid you would like to outputFILE=fessprnt1the file on which to write the gridSTRIDE=5000000the frequency with which the grid should be output to the fileDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=fsprnt2the action that creates the grid you would like to outputFILE=fessprnt2the file on which to write the gridSTRIDE=5000000the frequency with which the grid should be output to the fileDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=fsimplethe action that creates the grid you would like to outputFILE=fessimplethe file on which to write the gridSTRIDE=5000000the frequency with which the grid should be output to the fileDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=f2dbthe action that creates the grid you would like to outputFILE=fes2dbthe file on which to write the gridSTRIDE=5000000the frequency with which the grid should be output to the fileDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=f2ddthe action that creates the grid you would like to outputFILE=fes2ddthe file on which to write the gridSTRIDE=5000000the frequency with which the grid should be output to the fileDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=f2dthe action that creates the grid you would like to outputFILE=fes2dthe file on which to write the gridSTRIDE=5000000the frequency with which the grid should be output to the fileDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=fd4gthe action that creates the grid you would like to outputFILE=fesd4gthe file on which to write the gridSTRIDE=5000000the frequency with which the grid should be output to the fileDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=fhldagthe action that creates the grid you would like to outputFILE=feshldagthe file on which to write the gridSTRIDE=5000000the frequency with which the grid should be output to the fileDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=fsprnt1gthe action that creates the grid you would like to outputFILE=fessprnt1gthe file on which to write the gridSTRIDE=5000000the frequency with which the grid should be output to the fileDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=fsprnt2gthe action that creates the grid you would like to outputFILE=fessprnt2gthe file on which to write the gridSTRIDE=5000000the frequency with which the grid should be output to the fileDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=fsimplegthe action that creates the grid you would like to outputFILE=fessimplegthe file on which to write the gridSTRIDE=5000000the frequency with which the grid should be output to the fileDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=f2dgthe action that creates the grid you would like to outputFILE=fes2dgthe file on which to write the gridSTRIDE=5000000the frequency with which the grid should be output to the fileFLUSHThis command instructs plumed to flush all the open files with a user specified frequency. More detailsSTRIDE=2000the frequency with which all the open files should be flushedPrint quantities to a file. More detailsARG=d4,d6,hlda,dist,cn.mean,sprnt1,sprnt2,b1.bias,b1.rctthe input for this action is the scalar output from one or more other actionsSTRIDE=200the frequency with which the quantities of interest should be outputFILE=colvarthe name of the file on which to output these quantities