PLUMED-NEST

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed11.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

tA: TORSIONCalculate one or multiple torsional angles. More details VECTOR1two atoms that define a vector=700,694 AXIStwo atoms that define an axis=694,715 VECTOR2two atoms that define a vector=715,721
The TORSION action with label tA calculates the following quantities:
 Quantity   
 Description  
tA.value
the TORSION involving these atomstB: TORSIONCalculate one or multiple torsional angles. More details VECTOR1two atoms that define a vector=713,702 AXIStwo atoms that define an axis=702,695 VECTOR2two atoms that define a vector=695,723
The TORSION action with label tB calculates the following quantities:
 Quantity   
 Description  
tB.value
the TORSION involving these atomstC: TORSIONCalculate one or multiple torsional angles. More details VECTOR1two atoms that define a vector=702,695 AXIStwo atoms that define an axis=695,723 VECTOR2two atoms that define a vector=723,735
The TORSION action with label tC calculates the following quantities:
 Quantity   
 Description  
tC.value
the TORSION involving these atomstD: TORSIONCalculate one or multiple torsional angles. More details VECTOR1two atoms that define a vector=702,711 AXIStwo atoms that define an axis=711,705 VECTOR2two atoms that define a vector=705,698
The TORSION action with label tD calculates the following quantities:
 Quantity   
 Description  
tD.value
the TORSION involving these atomstE: TORSIONCalculate one or multiple torsional angles. More details VECTOR1two atoms that define a vector=704,708 AXIStwo atoms that define an axis=708,739 VECTOR2two atoms that define a vector=739,754
The TORSION action with label tE calculates the following quantities:
 Quantity   
 Description  
tE.value
the TORSION involving these atomstF: TORSIONCalculate one or multiple torsional angles. More details VECTOR1two atoms that define a vector=708,739 AXIStwo atoms that define an axis=739,754 VECTOR2two atoms that define a vector=754,750
The TORSION action with label tF calculates the following quantities:
 Quantity   
 Description  
tF.value
the TORSION involving these atomsPRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=tA,tB,tC,tD,tE,tF FILEthe name of the file on which to output these quantities=cluster_data_11
The PRINT action with label  calculates somethingENDPLUMEDTerminate plumed input. More details