PLUMED-NEST

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed16.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=1015,1009 AXIStwo atoms that define an axis=1009,1030 VECTOR2two atoms that define a vector=1030,1036
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=1028,1017 AXIStwo atoms that define an axis=1017,1010 VECTOR2two atoms that define a vector=1010,1038
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=1017,1010 AXIStwo atoms that define an axis=1010,1038 VECTOR2two atoms that define a vector=1038,1050
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=1017,1026 AXIStwo atoms that define an axis=1026,1020 VECTOR2two atoms that define a vector=1020,1013
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=1019,1023 AXIStwo atoms that define an axis=1023,1054 VECTOR2two atoms that define a vector=1054,1069
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=1023,1054 AXIStwo atoms that define an axis=1054,1069 VECTOR2two atoms that define a vector=1069,1065
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_16
The PRINT action with label  calculates somethingENDPLUMEDTerminate plumed input. More details