PLUMED-NEST

Project ID: plumID:20.030
Source: plumed1.dat
Originally used with PLUMED version: 2.6
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

MOLINFOThis command is used to provide information on the molecules that are present in your system. More details STRUCTUREa file in pdb format containing a reference structure=ref.pdb
The MOLINFO action with label  calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=1-1571

COORDINATIONCalculate coordination numbers. More details ...
PAIR Pair only 1st element of the 1st group with 1st element in the second, etc NOPBC ignore the periodic boundary conditions when calculating distances
LABELa label for the action so that its output can be referenced in the input to other actions=allpv-76
SWITCHThis keyword is used if you want to employ an alternative to the continuous switching function defined above. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=0.75 D_MAX=1.5 NN=18 MM=23} NLIST Use a neighbor list to speed up the calculation NL_CUTOFFThe cutoff for the neighbor list=1.6 NL_STRIDEThe frequency with which we are updating the atoms in the neighbor list=20
GROUPAFirst list of atoms=1305,1308,1309,1310,1305,1308,1309,1309,1305,1308,1309,1305,1308,1309,1310,1305,1308,1309,1310,1308,1309,1310,1308,1309,1310,1308,1309,1310,1309,1309,1310,1310,1310,1310,1305,1305,1308,1308,1308,1308,1309,1309,1309,1309,1310,1310,1310,1310,
GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=246,246,246,246,249,249,249,258,256,256,256,258,258,258,258,266,266,266,266,269,269,269,281,281,281,283,283,283,293,299,893,896,899,902,1357,1381,1357,1379,1380,1381,1357,1360,1379,1381,1376,1379,1380,1381,
... COORDINATION

The COORDINATION action with label allpv-76 calculates the following quantities:
 Quantity   
 Description  
allpv-76.value
the value of the coordinationCOMBINECalculate a polynomial combination of a set of other variables. More details  LABELa label for the action so that its output can be referenced in the input to other actions=pv-76  ARGthe values input to this function=allpv-76 COEFFICIENTS the coefficients of the arguments in your function=0.0208333 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The COMBINE action with label pv-76 calculates the following quantities:
 Quantity   
 Description  
pv-76.value
a linear compbinationrpv-76: RESTRAINTAdds harmonic and/or linear restraints on one or more variables. More details ARGthe values the harmonic restraint acts upon=pv-76 SLOPE specifies that the restraint is linear and what the values of the force constants on each of the variables are=0 KAPPA specifies that the restraint is harmonic and what the values of the force constants on each of the variables are=20000. ATthe position of the restraint=0.28

The RESTRAINT action with label rpv-76 calculates the following quantities:
 Quantity   
 Description  
rpv-76.bias
the instantaneous value of the bias potential
rpv-76.force2
the instantaneous value of the squared force due to this bias potentialCOORDINATIONCalculate coordination numbers. More details ...
PAIR Pair only 1st element of the 1st group with 1st element in the second, etc NOPBC ignore the periodic boundary conditions when calculating distances
LABELa label for the action so that its output can be referenced in the input to other actions=allpv-39
SWITCHThis keyword is used if you want to employ an alternative to the continuous switching function defined above. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=0.75 D_MAX=1.5 NN=18 MM=23} NLIST Use a neighbor list to speed up the calculation NL_CUTOFFThe cutoff for the neighbor list=1.6 NL_STRIDEThe frequency with which we are updating the atoms in the neighbor list=20
GROUPAFirst list of atoms=684,684,684,684,684,684,686,686,690,690,690,
GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=743,757,760,1347,1390,1393,1390,1393,1347,1390,1393,
... COORDINATION

The COORDINATION action with label allpv-39 calculates the following quantities:
 Quantity   
 Description  
allpv-39.value
the value of the coordinationCOMBINECalculate a polynomial combination of a set of other variables. More details  LABELa label for the action so that its output can be referenced in the input to other actions=pv-39  ARGthe values input to this function=allpv-39 COEFFICIENTS the coefficients of the arguments in your function=0.0909091 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The COMBINE action with label pv-39 calculates the following quantities:
 Quantity   
 Description  
pv-39.value
a linear compbinationrpv-39: RESTRAINTAdds harmonic and/or linear restraints on one or more variables. More details ARGthe values the harmonic restraint acts upon=pv-39 SLOPE specifies that the restraint is linear and what the values of the force constants on each of the variables are=0 KAPPA specifies that the restraint is harmonic and what the values of the force constants on each of the variables are=20000. ATthe position of the restraint=0.42

The RESTRAINT action with label rpv-39 calculates the following quantities:
 Quantity   
 Description  
rpv-39.bias
the instantaneous value of the bias potential
rpv-39.force2
the instantaneous value of the squared force due to this bias potentialCOORDINATIONCalculate coordination numbers. More details ...
PAIR Pair only 1st element of the 1st group with 1st element in the second, etc NOPBC ignore the periodic boundary conditions when calculating distances
LABELa label for the action so that its output can be referenced in the input to other actions=allpv-78
SWITCHThis keyword is used if you want to employ an alternative to the continuous switching function defined above. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=0.75 D_MAX=1.5 NN=18 MM=23} NLIST Use a neighbor list to speed up the calculation NL_CUTOFFThe cutoff for the neighbor list=1.6 NL_STRIDEThe frequency with which we are updating the atoms in the neighbor list=20
GROUPAFirst list of atoms=1338,1338,1338,1347,1347,1338,1341,1343,1347,1341,1343,1338,1338,1338,1341,1341,1347,1347,
GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=594,596,600,684,690,1284,1284,1284,1284,1287,1287,1295,1390,1393,1390,1393,1390,1393,
... COORDINATION

The COORDINATION action with label allpv-78 calculates the following quantities:
 Quantity   
 Description  
allpv-78.value
the value of the coordinationCOMBINECalculate a polynomial combination of a set of other variables. More details  LABELa label for the action so that its output can be referenced in the input to other actions=pv-78  ARGthe values input to this function=allpv-78 COEFFICIENTS the coefficients of the arguments in your function=0.0555556 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The COMBINE action with label pv-78 calculates the following quantities:
 Quantity   
 Description  
pv-78.value
a linear compbinationrpv-78: RESTRAINTAdds harmonic and/or linear restraints on one or more variables. More details ARGthe values the harmonic restraint acts upon=pv-78 SLOPE specifies that the restraint is linear and what the values of the force constants on each of the variables are=0 KAPPA specifies that the restraint is harmonic and what the values of the force constants on each of the variables are=20000. ATthe position of the restraint=0.49

The RESTRAINT action with label rpv-78 calculates the following quantities:
 Quantity   
 Description  
rpv-78.bias
the instantaneous value of the bias potential
rpv-78.force2
the instantaneous value of the squared force due to this bias potentialCOORDINATIONCalculate coordination numbers. More details ...
PAIR Pair only 1st element of the 1st group with 1st element in the second, etc NOPBC ignore the periodic boundary conditions when calculating distances
LABELa label for the action so that its output can be referenced in the input to other actions=allpv-81
SWITCHThis keyword is used if you want to employ an alternative to the continuous switching function defined above. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=0.75 D_MAX=1.5 NN=18 MM=23} NLIST Use a neighbor list to speed up the calculation NL_CUTOFFThe cutoff for the neighbor list=1.6 NL_STRIDEThe frequency with which we are updating the atoms in the neighbor list=20
GROUPAFirst list of atoms=1390,1393,1390,1393,1390,1393,1390,1393,1390,1393,1393,1393,1393,1390,1393,1393,1390,1393,1390,1393,1390,1393,1390,1390,
GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=684,684,686,686,690,690,743,743,745,745,757,760,762,824,824,1319,1338,1338,1341,1341,1347,1347,1435,1441,
... COORDINATION

The COORDINATION action with label allpv-81 calculates the following quantities:
 Quantity   
 Description  
allpv-81.value
the value of the coordinationCOMBINECalculate a polynomial combination of a set of other variables. More details  LABELa label for the action so that its output can be referenced in the input to other actions=pv-81  ARGthe values input to this function=allpv-81 COEFFICIENTS the coefficients of the arguments in your function=0.0416667 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The COMBINE action with label pv-81 calculates the following quantities:
 Quantity   
 Description  
pv-81.value
a linear compbinationrpv-81: RESTRAINTAdds harmonic and/or linear restraints on one or more variables. More details ARGthe values the harmonic restraint acts upon=pv-81 SLOPE specifies that the restraint is linear and what the values of the force constants on each of the variables are=0 KAPPA specifies that the restraint is harmonic and what the values of the force constants on each of the variables are=20000. ATthe position of the restraint=0.51

The RESTRAINT action with label rpv-81 calculates the following quantities:
 Quantity   
 Description  
rpv-81.bias
the instantaneous value of the bias potential
rpv-81.force2
the instantaneous value of the squared force due to this bias potentialCOORDINATIONCalculate coordination numbers. More details ...
PAIR Pair only 1st element of the 1st group with 1st element in the second, etc NOPBC ignore the periodic boundary conditions when calculating distances
LABELa label for the action so that its output can be referenced in the input to other actions=allpv-29
SWITCHThis keyword is used if you want to employ an alternative to the continuous switching function defined above. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=0.75 D_MAX=1.5 NN=18 MM=23} NLIST Use a neighbor list to speed up the calculation NL_CUTOFFThe cutoff for the neighbor list=1.6 NL_STRIDEThe frequency with which we are updating the atoms in the neighbor list=20
GROUPAFirst list of atoms=517,519,514,514,514,514,514,514,517,517,517,517,517,517,519,519,519,519,519,519,523,523,523,523,
GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=375,375,450,569,1360,1362,1366,1401,569,1360,1401,1416,1419,1421,1360,1401,1416,1419,1421,1425,1401,1404,1416,1482,
... COORDINATION

The COORDINATION action with label allpv-29 calculates the following quantities:
 Quantity   
 Description  
allpv-29.value
the value of the coordinationCOMBINECalculate a polynomial combination of a set of other variables. More details  LABELa label for the action so that its output can be referenced in the input to other actions=pv-29  ARGthe values input to this function=allpv-29 COEFFICIENTS the coefficients of the arguments in your function=0.0416667 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The COMBINE action with label pv-29 calculates the following quantities:
 Quantity   
 Description  
pv-29.value
a linear compbinationrpv-29: RESTRAINTAdds harmonic and/or linear restraints on one or more variables. More details ARGthe values the harmonic restraint acts upon=pv-29 SLOPE specifies that the restraint is linear and what the values of the force constants on each of the variables are=0 KAPPA specifies that the restraint is harmonic and what the values of the force constants on each of the variables are=20000. ATthe position of the restraint=0.74

The RESTRAINT action with label rpv-29 calculates the following quantities:
 Quantity   
 Description  
rpv-29.bias
the instantaneous value of the bias potential
rpv-29.force2
the instantaneous value of the squared force due to this bias potentialCOORDINATIONCalculate coordination numbers. More details ...
PAIR Pair only 1st element of the 1st group with 1st element in the second, etc NOPBC ignore the periodic boundary conditions when calculating distances
LABELa label for the action so that its output can be referenced in the input to other actions=allpv-47
SWITCHThis keyword is used if you want to employ an alternative to the continuous switching function defined above. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=0.75 D_MAX=1.5 NN=18 MM=23} NLIST Use a neighbor list to speed up the calculation NL_CUTOFFThe cutoff for the neighbor list=1.6 NL_STRIDEThe frequency with which we are updating the atoms in the neighbor list=20
GROUPAFirst list of atoms=824,824,824,824,824,824,824,824,824,824,824,824,
GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=745,757,905,1319,1322,1324,1376,1379,1390,1393,1435,1441,
... COORDINATION

The COORDINATION action with label allpv-47 calculates the following quantities:
 Quantity   
 Description  
allpv-47.value
the value of the coordinationCOMBINECalculate a polynomial combination of a set of other variables. More details  LABELa label for the action so that its output can be referenced in the input to other actions=pv-47  ARGthe values input to this function=allpv-47 COEFFICIENTS the coefficients of the arguments in your function=0.0833333 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The COMBINE action with label pv-47 calculates the following quantities:
 Quantity   
 Description  
pv-47.value
a linear compbinationrpv-47: RESTRAINTAdds harmonic and/or linear restraints on one or more variables. More details ARGthe values the harmonic restraint acts upon=pv-47 SLOPE specifies that the restraint is linear and what the values of the force constants on each of the variables are=0 KAPPA specifies that the restraint is harmonic and what the values of the force constants on each of the variables are=20000. ATthe position of the restraint=0.80

The RESTRAINT action with label rpv-47 calculates the following quantities:
 Quantity   
 Description  
rpv-47.bias
the instantaneous value of the bias potential
rpv-47.force2
the instantaneous value of the squared force due to this bias potentialCOORDINATIONCalculate coordination numbers. More details ...
PAIR Pair only 1st element of the 1st group with 1st element in the second, etc NOPBC ignore the periodic boundary conditions when calculating distances
LABELa label for the action so that its output can be referenced in the input to other actions=allpv-71
SWITCHThis keyword is used if you want to employ an alternative to the continuous switching function defined above. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=0.75 D_MAX=1.5 NN=18 MM=23} NLIST Use a neighbor list to speed up the calculation NL_CUTOFFThe cutoff for the neighbor list=1.6 NL_STRIDEThe frequency with which we are updating the atoms in the neighbor list=20
GROUPAFirst list of atoms=1241,1239,1241,1239,1241,1239,1241,1239,1241,1241,1236,1239,1241,
GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=591,594,594,596,596,600,600,1157,1157,1159,1295,1295,1295,
... COORDINATION

The COORDINATION action with label allpv-71 calculates the following quantities:
 Quantity   
 Description  
allpv-71.value
the value of the coordinationCOMBINECalculate a polynomial combination of a set of other variables. More details  LABELa label for the action so that its output can be referenced in the input to other actions=pv-71  ARGthe values input to this function=allpv-71 COEFFICIENTS the coefficients of the arguments in your function=0.0769231 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The COMBINE action with label pv-71 calculates the following quantities:
 Quantity   
 Description  
pv-71.value
a linear compbinationrpv-71: RESTRAINTAdds harmonic and/or linear restraints on one or more variables. More details ARGthe values the harmonic restraint acts upon=pv-71 SLOPE specifies that the restraint is linear and what the values of the force constants on each of the variables are=0 KAPPA specifies that the restraint is harmonic and what the values of the force constants on each of the variables are=20000. ATthe position of the restraint=0.86

The RESTRAINT action with label rpv-71 calculates the following quantities:
 Quantity   
 Description  
rpv-71.bias
the instantaneous value of the bias potential
rpv-71.force2
the instantaneous value of the squared force due to this bias potentialCOORDINATIONCalculate coordination numbers. More details ...
PAIR Pair only 1st element of the 1st group with 1st element in the second, etc NOPBC ignore the periodic boundary conditions when calculating distances
LABELa label for the action so that its output can be referenced in the input to other actions=allpv-58
SWITCHThis keyword is used if you want to employ an alternative to the continuous switching function defined above. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=0.75 D_MAX=1.5 NN=18 MM=23} NLIST Use a neighbor list to speed up the calculation NL_CUTOFFThe cutoff for the neighbor list=1.6 NL_STRIDEThe frequency with which we are updating the atoms in the neighbor list=20
GROUPAFirst list of atoms=1015,1017,1015,1017,1024,1015,1017,1021,1024,1017,1015,1017,1021,1024,1024,1024,1024,1015,1015,1021,
GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=258,258,256,256,450,453,453,453,453,455,459,459,459,459,469,472,475,1051,1057,1057,
... COORDINATION

The COORDINATION action with label allpv-58 calculates the following quantities:
 Quantity   
 Description  
allpv-58.value
the value of the coordinationCOMBINECalculate a polynomial combination of a set of other variables. More details  LABELa label for the action so that its output can be referenced in the input to other actions=pv-58  ARGthe values input to this function=allpv-58 COEFFICIENTS the coefficients of the arguments in your function=0.05 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The COMBINE action with label pv-58 calculates the following quantities:
 Quantity   
 Description  
pv-58.value
a linear compbinationrpv-58: RESTRAINTAdds harmonic and/or linear restraints on one or more variables. More details ARGthe values the harmonic restraint acts upon=pv-58 SLOPE specifies that the restraint is linear and what the values of the force constants on each of the variables are=0 KAPPA specifies that the restraint is harmonic and what the values of the force constants on each of the variables are=20000. ATthe position of the restraint=0.90

The RESTRAINT action with label rpv-58 calculates the following quantities:
 Quantity   
 Description  
rpv-58.bias
the instantaneous value of the bias potential
rpv-58.force2
the instantaneous value of the squared force due to this bias potentialCOORDINATIONCalculate coordination numbers. More details ...
PAIR Pair only 1st element of the 1st group with 1st element in the second, etc NOPBC ignore the periodic boundary conditions when calculating distances
LABELa label for the action so that its output can be referenced in the input to other actions=allpv-86
SWITCHThis keyword is used if you want to employ an alternative to the continuous switching function defined above. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=0.75 D_MAX=1.5 NN=18 MM=23} NLIST Use a neighbor list to speed up the calculation NL_CUTOFFThe cutoff for the neighbor list=1.6 NL_STRIDEThe frequency with which we are updating the atoms in the neighbor list=20
GROUPAFirst list of atoms=1482,1473,1473,
GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=523,1416,1419,
... COORDINATION

The COORDINATION action with label allpv-86 calculates the following quantities:
 Quantity   
 Description  
allpv-86.value
the value of the coordinationCOMBINECalculate a polynomial combination of a set of other variables. More details  LABELa label for the action so that its output can be referenced in the input to other actions=pv-86  ARGthe values input to this function=allpv-86 COEFFICIENTS the coefficients of the arguments in your function=0.333333 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The COMBINE action with label pv-86 calculates the following quantities:
 Quantity   
 Description  
pv-86.value
a linear compbinationrpv-86: RESTRAINTAdds harmonic and/or linear restraints on one or more variables. More details ARGthe values the harmonic restraint acts upon=pv-86 SLOPE specifies that the restraint is linear and what the values of the force constants on each of the variables are=0 KAPPA specifies that the restraint is harmonic and what the values of the force constants on each of the variables are=20000. ATthe position of the restraint=0.99

The RESTRAINT action with label rpv-86 calculates the following quantities:
 Quantity   
 Description  
rpv-86.bias
the instantaneous value of the bias potential
rpv-86.force2
the instantaneous value of the squared force due to this bias potentialCOORDINATIONCalculate coordination numbers. More details ...
PAIR Pair only 1st element of the 1st group with 1st element in the second, etc NOPBC ignore the periodic boundary conditions when calculating distances
LABELa label for the action so that its output can be referenced in the input to other actions=allpv-26
SWITCHThis keyword is used if you want to employ an alternative to the continuous switching function defined above. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=0.75 D_MAX=1.5 NN=18 MM=23} NLIST Use a neighbor list to speed up the calculation NL_CUTOFFThe cutoff for the neighbor list=1.6 NL_STRIDEThe frequency with which we are updating the atoms in the neighbor list=20
GROUPAFirst list of atoms=453,455,459,453,455,459,453,455,459,453,455,459,455,455,455,450,450,453,455,450,453,455,459,450,450,450,453,453,453,453,453,453,455,455,455,455,459,459,459,459,459,
GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=246,246,246,249,249,249,258,258,258,256,256,256,293,295,299,366,372,372,372,375,375,375,375,514,980,1024,980,1015,1017,1021,1024,1366,980,1017,1362,1366,980,1015,1017,1021,1024,
... COORDINATION

The COORDINATION action with label allpv-26 calculates the following quantities:
 Quantity   
 Description  
allpv-26.value
the value of the coordinationCOMBINECalculate a polynomial combination of a set of other variables. More details  LABELa label for the action so that its output can be referenced in the input to other actions=pv-26  ARGthe values input to this function=allpv-26 COEFFICIENTS the coefficients of the arguments in your function=0.0243902 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The COMBINE action with label pv-26 calculates the following quantities:
 Quantity   
 Description  
pv-26.value
a linear compbinationrpv-26: RESTRAINTAdds harmonic and/or linear restraints on one or more variables. More details ARGthe values the harmonic restraint acts upon=pv-26 SLOPE specifies that the restraint is linear and what the values of the force constants on each of the variables are=0 KAPPA specifies that the restraint is harmonic and what the values of the force constants on each of the variables are=20000. ATthe position of the restraint=1.00

The RESTRAINT action with label rpv-26 calculates the following quantities:
 Quantity   
 Description  
rpv-26.bias
the instantaneous value of the bias potential
rpv-26.force2
the instantaneous value of the squared force due to this bias potentialCOORDINATIONCalculate coordination numbers. More details ...
PAIR Pair only 1st element of the 1st group with 1st element in the second, etc NOPBC ignore the periodic boundary conditions when calculating distances
LABELa label for the action so that its output can be referenced in the input to other actions=allpv-79
SWITCHThis keyword is used if you want to employ an alternative to the continuous switching function defined above. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=0.75 D_MAX=1.5 NN=18 MM=23} NLIST Use a neighbor list to speed up the calculation NL_CUTOFFThe cutoff for the neighbor list=1.6 NL_STRIDEThe frequency with which we are updating the atoms in the neighbor list=20
GROUPAFirst list of atoms=1357,1360,1357,1360,1362,1366,1366,1357,1360,1366,1357,1360,1362,1366,1360,1366,1366,1362,1366,1360,1362,1366,1360,1360,1362,1362,1362,1357,1360,1357,1360,1362,1357,1357,1357,1357,1360,1357,
GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=246,246,249,249,249,249,254,256,256,256,258,258,258,258,295,295,453,455,455,514,514,514,517,519,533,536,538,594,594,596,596,596,600,1305,1308,1309,1309,1401,
... COORDINATION

The COORDINATION action with label allpv-79 calculates the following quantities:
 Quantity   
 Description  
allpv-79.value
the value of the coordinationCOMBINECalculate a polynomial combination of a set of other variables. More details  LABELa label for the action so that its output can be referenced in the input to other actions=pv-79  ARGthe values input to this function=allpv-79 COEFFICIENTS the coefficients of the arguments in your function=0.0263158 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The COMBINE action with label pv-79 calculates the following quantities:
 Quantity   
 Description  
pv-79.value
a linear compbinationrpv-79: RESTRAINTAdds harmonic and/or linear restraints on one or more variables. More details ARGthe values the harmonic restraint acts upon=pv-79 SLOPE specifies that the restraint is linear and what the values of the force constants on each of the variables are=0 KAPPA specifies that the restraint is harmonic and what the values of the force constants on each of the variables are=20000. ATthe position of the restraint=1.00

The RESTRAINT action with label rpv-79 calculates the following quantities:
 Quantity   
 Description  
rpv-79.bias
the instantaneous value of the bias potential
rpv-79.force2
the instantaneous value of the squared force due to this bias potentialstat: STATSCalculates statistical properties of a set of collective variables with respect to a set of reference values. More details ARGthe labels of the values from which the function is calculated=pv-76,pv-39,pv-78,pv-81,pv-29,pv-47,pv-71,pv-58,pv-86,pv-26,pv-79, PARAMETERSthe parameters of the arguments in your function=0.28,0.42,0.49,0.51,0.74,0.80,0.86,0.90,0.99,1.00,1.00,
The STATS action with label stat calculates the following quantities:
 Quantity   
 Description  
stat.sqdevsum
the sum of the squared deviations between arguments and parameters
stat.corr
the correlation between arguments and parameters
stat.slope
the slope of a linear fit between arguments and parameters
stat.intercept
the intercept of a linear fit between arguments and parametersPRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=stat.* FILEthe name of the file on which to output these quantities=STAT STRIDE the frequency with which the quantities of interest should be output=500
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=pv-76,pv-39,pv-78,pv-81,pv-29,pv-47,pv-71,pv-58,pv-86,pv-26,pv-79, FILEthe name of the file on which to output these quantities=COORDINATION STRIDE the frequency with which the quantities of interest should be output=500
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=rpv-76.bias,rpv-39.bias,rpv-78.bias,rpv-81.bias,rpv-29.bias,rpv-47.bias,rpv-71.bias,rpv-58.bias,rpv-86.bias,rpv-26.bias,rpv-79.bias, FILEthe name of the file on which to output these quantities=RESTRAINTS STRIDE the frequency with which the quantities of interest should be output=500