PLUMED-NEST-TEST-SITE

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed26.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=1645,1639 AXIStwo atoms that define an axis=1639,1660 VECTOR2two atoms that define a vector=1660,1666
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=1658,1647 AXIStwo atoms that define an axis=1647,1640 VECTOR2two atoms that define a vector=1640,1668
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=1647,1640 AXIStwo atoms that define an axis=1640,1668 VECTOR2two atoms that define a vector=1668,1680
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=1647,1656 AXIStwo atoms that define an axis=1656,1650 VECTOR2two atoms that define a vector=1650,1643
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=1649,1653 AXIStwo atoms that define an axis=1653,1684 VECTOR2two atoms that define a vector=1684,1699
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=1653,1684 AXIStwo atoms that define an axis=1684,1699 VECTOR2two atoms that define a vector=1699,1695
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_26
The PRINT action with label  calculates somethingENDPLUMEDTerminate plumed input. More details