PLUMED-NEST

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed25.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

tAThe TORSION action with label tA calculates the following quantities:
 Quantity   
 Type   
 Description  
tA
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details VECTOR1two atoms that define a vector=1582,1576 AXIStwo atoms that define an axis=1576,1597 VECTOR2two atoms that define a vector=1597,1603
tBThe TORSION action with label tB calculates the following quantities:
 Quantity   
 Type   
 Description  
tB
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details VECTOR1two atoms that define a vector=1595,1584 AXIStwo atoms that define an axis=1584,1577 VECTOR2two atoms that define a vector=1577,1605
tCThe TORSION action with label tC calculates the following quantities:
 Quantity   
 Type   
 Description  
tC
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details VECTOR1two atoms that define a vector=1584,1577 AXIStwo atoms that define an axis=1577,1605 VECTOR2two atoms that define a vector=1605,1617
tDThe TORSION action with label tD calculates the following quantities:
 Quantity   
 Type   
 Description  
tD
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details VECTOR1two atoms that define a vector=1584,1593 AXIStwo atoms that define an axis=1593,1587 VECTOR2two atoms that define a vector=1587,1580
tEThe TORSION action with label tE calculates the following quantities:
 Quantity   
 Type   
 Description  
tE
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details VECTOR1two atoms that define a vector=1586,1590 AXIStwo atoms that define an axis=1590,1621 VECTOR2two atoms that define a vector=1621,1636
tFThe TORSION action with label tF calculates the following quantities:
 Quantity   
 Type   
 Description  
tF
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details VECTOR1two atoms that define a vector=1590,1621 AXIStwo atoms that define an axis=1621,1636 VECTOR2two atoms that define a vector=1636,1632
PRINTPrint 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_25
The PRINT action with label  calculates somethingENDPLUMEDTerminate plumed input. More details