PLUMED-NEST-TEST-SITE

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed20.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=1267,1261 AXIStwo atoms that define an axis=1261,1282 VECTOR2two atoms that define a vector=1282,1288
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=1280,1269 AXIStwo atoms that define an axis=1269,1262 VECTOR2two atoms that define a vector=1262,1290
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=1269,1262 AXIStwo atoms that define an axis=1262,1290 VECTOR2two atoms that define a vector=1290,1302
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=1269,1278 AXIStwo atoms that define an axis=1278,1272 VECTOR2two atoms that define a vector=1272,1265
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=1271,1275 AXIStwo atoms that define an axis=1275,1306 VECTOR2two atoms that define a vector=1306,1321
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=1275,1306 AXIStwo atoms that define an axis=1306,1321 VECTOR2two atoms that define a vector=1321,1317
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_20
The PRINT action with label  calculates somethingENDPLUMEDTerminate plumed input. More details