PLUMED-NEST-TEST-SITE

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed15.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=952,946 AXIStwo atoms that define an axis=946,967 VECTOR2two atoms that define a vector=967,973
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=965,954 AXIStwo atoms that define an axis=954,947 VECTOR2two atoms that define a vector=947,975
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=954,947 AXIStwo atoms that define an axis=947,975 VECTOR2two atoms that define a vector=975,987
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=954,963 AXIStwo atoms that define an axis=963,957 VECTOR2two atoms that define a vector=957,950
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=956,960 AXIStwo atoms that define an axis=960,991 VECTOR2two atoms that define a vector=991,1006
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=960,991 AXIStwo atoms that define an axis=991,1006 VECTOR2two atoms that define a vector=1006,1002
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_15
The PRINT action with label  calculates somethingENDPLUMEDTerminate plumed input. More details