PLUMED-NEST by plumed-nest

Project ID: plumID:21.030
Source: plumed-nest/nspe/cv.dat
Originally used with PLUMED version: 2.4
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
#! vim:ft=plumed

#RESTART 

# COLVARS 

# rg
rgThe GYRATION action with label rg calculates the following quantities: Quantity    Type    Description  
rg scalar the radius of gyration: GYRATIONCalculate the radius of gyration, or other properties related to it. More details TYPE The type of calculation relative to the Gyration Tensor you want to perform=RADIUS ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1,3,4,29,31,32,52,54,55,75,77,78,98,100,101,121,123,124,144,146,147,167,169,170,190,192,193,213,215,216,236,238,239,259,261

# 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
phi3The TORSION action with label phi3 calculates the following quantities: Quantity    Type    Description  
phi3 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=52,78,77,75
phi4The TORSION action with label phi4 calculates the following quantities: Quantity    Type    Description  
phi4 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=75,101,100,98
phi5The TORSION action with label phi5 calculates the following quantities: Quantity    Type    Description  
phi5 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=98,124,123,121
phi6The TORSION action with label phi6 calculates the following quantities: Quantity    Type    Description  
phi6 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=121,147,146,144
phi7The TORSION action with label phi7 calculates the following quantities: Quantity    Type    Description  
phi7 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=144,170,169,167
phi8The TORSION action with label phi8 calculates the following quantities: Quantity    Type    Description  
phi8 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=167,193,192,190
phi9The TORSION action with label phi9 calculates the following quantities: Quantity    Type    Description  
phi9 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=190,216,215,213
phi10The TORSION action with label phi10 calculates the following quantities: Quantity    Type    Description  
phi10 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=213,239,238,236

# 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=54,52,78,77
psi4The TORSION action with label psi4 calculates the following quantities: Quantity    Type    Description  
psi4 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=77,75,101,100
psi5The TORSION action with label psi5 calculates the following quantities: Quantity    Type    Description  
psi5 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=100,98,124,123
psi6The TORSION action with label psi6 calculates the following quantities: Quantity    Type    Description  
psi6 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=123,121,147,146
psi7The TORSION action with label psi7 calculates the following quantities: Quantity    Type    Description  
psi7 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=146,144,170,169
psi8The TORSION action with label psi8 calculates the following quantities: Quantity    Type    Description  
psi8 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=169,167,193,192
psi9The TORSION action with label psi9 calculates the following quantities: Quantity    Type    Description  
psi9 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=192,190,216,215
psi10The TORSION action with label psi10 calculates the following quantities: Quantity    Type    Description  
psi10 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=215,213,239,238
psi11The TORSION action with label psi11 calculates the following quantities: Quantity    Type    Description  
psi11 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=238,236,261,259

# 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=55,54,52,78
omega3The TORSION action with label omega3 calculates the following quantities: Quantity    Type    Description  
omega3 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=78,77,75,101
omega4The TORSION action with label omega4 calculates the following quantities: Quantity    Type    Description  
omega4 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=101,100,98,124
omega5The TORSION action with label omega5 calculates the following quantities: Quantity    Type    Description  
omega5 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=124,123,121,147
omega6The TORSION action with label omega6 calculates the following quantities: Quantity    Type    Description  
omega6 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=147,146,144,170
omega7The TORSION action with label omega7 calculates the following quantities: Quantity    Type    Description  
omega7 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=170,169,167,193
omega8The TORSION action with label omega8 calculates the following quantities: Quantity    Type    Description  
omega8 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=193,192,190,216
omega9The TORSION action with label omega9 calculates the following quantities: Quantity    Type    Description  
omega9 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=216,215,213,239
omega10The TORSION action with label omega10 calculates the following quantities: Quantity    Type    Description  
omega10 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=239,238,236,261

# 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=78,77,81,83
chi4The TORSION action with label chi4 calculates the following quantities: Quantity    Type    Description  
chi4 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=101,100,104,106
chi5The TORSION action with label chi5 calculates the following quantities: Quantity    Type    Description  
chi5 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=124,123,127,129
chi6The TORSION action with label chi6 calculates the following quantities: Quantity    Type    Description  
chi6 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=147,146,150,152
chi7The TORSION action with label chi7 calculates the following quantities: Quantity    Type    Description  
chi7 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=170,169,173,175
chi8The TORSION action with label chi8 calculates the following quantities: Quantity    Type    Description  
chi8 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=193,192,196,198
chi9The TORSION action with label chi9 calculates the following quantities: Quantity    Type    Description  
chi9 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=216,215,219,221
chi10The TORSION action with label chi10 calculates the following quantities: Quantity    Type    Description  
chi10 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=239,238,242,244
chi11The TORSION action with label chi11 calculates the following quantities: Quantity    Type    Description  
chi11 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=261,259,264,266

# 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=77,81,87,88
chi24The TORSION action with label chi24 calculates the following quantities: Quantity    Type    Description  
chi24 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=100,104,110,111
chi25The TORSION action with label chi25 calculates the following quantities: Quantity    Type    Description  
chi25 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=123,127,133,134
chi26The TORSION action with label chi26 calculates the following quantities: Quantity    Type    Description  
chi26 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=146,150,156,157
chi27The TORSION action with label chi27 calculates the following quantities: Quantity    Type    Description  
chi27 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=169,173,179,180
chi28The TORSION action with label chi28 calculates the following quantities: Quantity    Type    Description  
chi28 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=192,196,202,203
chi29The TORSION action with label chi29 calculates the following quantities: Quantity    Type    Description  
chi29 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=215,219,225,226
chi210The TORSION action with label chi210 calculates the following quantities: Quantity    Type    Description  
chi210 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=238,242,248,249
chi211The TORSION action with label chi211 calculates the following quantities: Quantity    Type    Description  
chi211 scalar the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=259,264,270,271
Quantity	Type	Description
rg	scalar	the radius of gyration
PLUMED-NEST

The public repository of the PLUMED consortium
