PLUMED-NEST

Project ID: plumID:22.030
Source: plumed/GACC/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

G0_phi1The TORSION action with label G0_phi1 calculates the following quantities:
 Quantity   
 Type   
 Description  
G0_phi1
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=2,1,3,6
        # ATOM IDS: H5T, O5', C5', C4' 
G0_phi2The TORSION action with label G0_phi2 calculates the following quantities:
 Quantity   
 Type   
 Description  
G0_phi2
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=1,3,6,26
        # ATOM IDS: O5', C5', C4', C3' 
G0_phi3The TORSION action with label G0_phi3 calculates the following quantities:
 Quantity   
 Type   
 Description  
G0_phi3
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=3,6,26,32
        # ATOM IDS: C5', C4', C3', O3' 
G0_phi4The TORSION action with label G0_phi4 calculates the following quantities:
 Quantity   
 Type   
 Description  
G0_phi4
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=6,26,32,33
        # ATOM IDS: C4', C3', O3', P 
G0_phi5The TORSION action with label G0_phi5 calculates the following quantities:
 Quantity   
 Type   
 Description  
G0_phi5
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=8,9,28,26
        # ATOM IDS: O4', C1', C2', C3' 
G0_phi6The TORSION action with label G0_phi6 calculates the following quantities:
 Quantity   
 Type   
 Description  
G0_phi6
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=9,28,30,31
        # ATOM IDS: C1', C2', O2', 2HO' 
A1_phi1The TORSION action with label A1_phi1 calculates the following quantities:
 Quantity   
 Type   
 Description  
A1_phi1
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=33,36,37,40
        # ATOM IDS: P, O5', C5', C4' 
A1_phi2The TORSION action with label A1_phi2 calculates the following quantities:
 Quantity   
 Type   
 Description  
A1_phi2
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=36,37,40,59
        # ATOM IDS: O5', C5', C4', C3' 
A1_phi3The TORSION action with label A1_phi3 calculates the following quantities:
 Quantity   
 Type   
 Description  
A1_phi3
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=37,40,59,65
        # ATOM IDS: C5', C4', C3', O3' 
A1_phi4The TORSION action with label A1_phi4 calculates the following quantities:
 Quantity   
 Type   
 Description  
A1_phi4
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=40,59,65,66
        # ATOM IDS: C4', C3', O3', P 
A1_phi5The TORSION action with label A1_phi5 calculates the following quantities:
 Quantity   
 Type   
 Description  
A1_phi5
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=42,43,61,59
        # ATOM IDS: O4', C1', C2', C3' 
A1_phi6The TORSION action with label A1_phi6 calculates the following quantities:
 Quantity   
 Type   
 Description  
A1_phi6
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=43,61,63,64
        # ATOM IDS: C1', C2', O2', 2HO' 
C2_phi1The TORSION action with label C2_phi1 calculates the following quantities:
 Quantity   
 Type   
 Description  
C2_phi1
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=66,69,70,73
        # ATOM IDS: P, O5', C5', C4' 
C2_phi2The TORSION action with label C2_phi2 calculates the following quantities:
 Quantity   
 Type   
 Description  
C2_phi2
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=69,70,73,90
        # ATOM IDS: O5', C5', C4', C3' 
C2_phi3The TORSION action with label C2_phi3 calculates the following quantities:
 Quantity   
 Type   
 Description  
C2_phi3
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=70,73,90,96
        # ATOM IDS: C5', C4', C3', O3' 
C2_phi4The TORSION action with label C2_phi4 calculates the following quantities:
 Quantity   
 Type   
 Description  
C2_phi4
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=73,90,96,97
        # ATOM IDS: C4', C3', O3', P 
C2_phi5The TORSION action with label C2_phi5 calculates the following quantities:
 Quantity   
 Type   
 Description  
C2_phi5
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=75,76,92,90
        # ATOM IDS: O4', C1', C2', C3' 
C2_phi6The TORSION action with label C2_phi6 calculates the following quantities:
 Quantity   
 Type   
 Description  
C2_phi6
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=76,92,94,95
        # ATOM IDS: C1', C2', O2', 2HO' 
C3_phi1The TORSION action with label C3_phi1 calculates the following quantities:
 Quantity   
 Type   
 Description  
C3_phi1
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=97,100,101,104
        # ATOM IDS: P, O5', C5', C4' 
C3_phi2The TORSION action with label C3_phi2 calculates the following quantities:
 Quantity   
 Type   
 Description  
C3_phi2
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=100,101,104,121
        # ATOM IDS: O5', C5', C4', C3' 
C3_phi3The TORSION action with label C3_phi3 calculates the following quantities:
 Quantity   
 Type   
 Description  
C3_phi3
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=101,104,121,127
        # ATOM IDS: C5', C4', C3', O3' 
C3_phi4The TORSION action with label C3_phi4 calculates the following quantities:
 Quantity   
 Type   
 Description  
C3_phi4
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=104,121,127,128
        # ATOM IDS: C4', C3', O3', H3T 
C3_phi5The TORSION action with label C3_phi5 calculates the following quantities:
 Quantity   
 Type   
 Description  
C3_phi5
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=106,107,123,121
        # ATOM IDS: O4', C1', C2', C3' 
C3_phi6The TORSION action with label C3_phi6 calculates the following quantities:
 Quantity   
 Type   
 Description  
C3_phi6
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=107,123,125,126
        # ATOM IDS: C1', C2', O2', 2HO' 

PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=* STRIDE the frequency with which the quantities of interest should be output=1 FILEthe name of the file on which to output these quantities=angles