PLUMED-NEST

Project ID: plumID:21.029
Source: aib9/plumed.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

RESTARTActivate restart. More details
The RESTART action with label  calculates somethingphi_1The TORSION action with label phi_1 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi_1
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=5,7,9,18
psi_1The TORSION action with label psi_1 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi_1
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=7,9,18,20

phi_2The TORSION action with label phi_2 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi_2
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=18,20,22,31
psi_2The TORSION action with label psi_2 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi_2
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=20,22,31,33

phi_3The TORSION action with label phi_3 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi_3
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=31,33,35,44
psi_3The TORSION action with label psi_3 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi_3
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=33,35,44,46

phi_4The TORSION action with label phi_4 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi_4
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=44,46,48,57
psi_4The TORSION action with label psi_4 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi_4
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=46,48,57,59

phi_5The TORSION action with label phi_5 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi_5
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=57,59,61,70
psi_5The TORSION action with label psi_5 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi_5
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=59,61,70,72

phi_6The TORSION action with label phi_6 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi_6
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=70,72,74,83
psi_6The TORSION action with label psi_6 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi_6
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=72,74,83,85

phi_7The TORSION action with label phi_7 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi_7
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=83,85,87,96
psi_7The TORSION action with label psi_7 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi_7
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=85,87,96,98

phi_8The TORSION action with label phi_8 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi_8
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=96,98,100,109
psi_8The TORSION action with label psi_8 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi_8
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=98,100,109,111

phi_9The TORSION action with label phi_9 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi_9
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=109,111,113,122
psi_9The TORSION action with label psi_9 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi_9
scalar
the TORSION involving these atoms:  TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=111,113,122,124

PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=phi_1,psi_1,phi_2,psi_2,phi_3,psi_3,phi_4,psi_4,phi_5,psi_5,phi_6,psi_6,phi_7,psi_7,phi_8,psi_8,phi_9,psi_9 STRIDE the frequency with which the quantities of interest should be output=100 FILEthe name of the file on which to output these quantities=COLVAR