PLUMED-NEST by plumed-nest

Project ID: plumID:23.007
Source: plumed-nest/nrpe4/cv.dat
Originally used with PLUMED version: 2.4.2
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
# dihedrals
# phi
phi0The TORSION action with label phi0 calculates the following quantities: Quantity    Type    Description  
phi0 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=24,4,3,1
phi1The TORSION action with label phi1 calculates the following quantities: Quantity    Type    Description  
phi1 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=1,32,31,29
phi2The TORSION action with label phi2 calculates the following quantities: Quantity    Type    Description  
phi2 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=29,55,54,52

# psi
psi0The TORSION action with label psi0 calculates the following quantities: Quantity    Type    Description  
psi0 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=26,24,4,3
psi1The TORSION action with label psi1 calculates the following quantities: Quantity    Type    Description  
psi1 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=3,1,32,31
psi2The TORSION action with label psi2 calculates the following quantities: Quantity    Type    Description  
psi2 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=31,29,55,54
psi3The TORSION action with label psi3 calculates the following quantities: Quantity    Type    Description  
psi3 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=54,52,77,75

# omega
omega0The TORSION action with label omega0 calculates the following quantities: Quantity    Type    Description  
omega0 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=4,3,1,32
omega1The TORSION action with label omega1 calculates the following quantities: Quantity    Type    Description  
omega1 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=32,31,29,55
omega2The TORSION action with label omega2 calculates the following quantities: Quantity    Type    Description  
omega2 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=55,54,52,77

# chi-1
chi0The TORSION action with label chi0 calculates the following quantities: Quantity    Type    Description  
chi0 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=4,3,7,9
chi1The TORSION action with label chi1 calculates the following quantities: Quantity    Type    Description  
chi1 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=32,31,35,37
chi2The TORSION action with label chi2 calculates the following quantities: Quantity    Type    Description  
chi2 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=55,54,58,60
chi3The TORSION action with label chi3 calculates the following quantities: Quantity    Type    Description  
chi3 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=77,75,80,82

# chi-2
chi20The TORSION action with label chi20 calculates the following quantities: Quantity    Type    Description  
chi20 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=3,7,13,14
chi21The TORSION action with label chi21 calculates the following quantities: Quantity    Type    Description  
chi21 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=31,35,41,42
chi22The TORSION action with label chi22 calculates the following quantities: Quantity    Type    Description  
chi22 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=54,58,64,65
chi23The TORSION action with label chi23 calculates the following quantities: Quantity    Type    Description  
chi23 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=75,80,86,87
Quantity	Type	Description
phi0	scalar	the TORSION involving these atoms
PLUMED-NEST

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