PLUMED-NEST

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed1.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

tA: TORSIONCalculate one or multiple torsional angles. More details VECTOR1You should use VECTORA instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=70,64 AXIStwo atoms that define an axis=64,85 VECTOR2You should use VECTORB instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=85,91
The TORSION action with label tA calculates the following quantities:
 Quantity   
 Description  
tA.value
the TORSION involving these atomstB: TORSIONCalculate one or multiple torsional angles. More details VECTOR1You should use VECTORA instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=83,72 AXIStwo atoms that define an axis=72,65 VECTOR2You should use VECTORB instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=65,93
The TORSION action with label tB calculates the following quantities:
 Quantity   
 Description  
tB.value
the TORSION involving these atomstC: TORSIONCalculate one or multiple torsional angles. More details VECTOR1You should use VECTORA instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=72,65 AXIStwo atoms that define an axis=65,93 VECTOR2You should use VECTORB instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=93,105
The TORSION action with label tC calculates the following quantities:
 Quantity   
 Description  
tC.value
the TORSION involving these atomstD: TORSIONCalculate one or multiple torsional angles. More details VECTOR1You should use VECTORA instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=72,81 AXIStwo atoms that define an axis=81,75 VECTOR2You should use VECTORB instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=75,68
The TORSION action with label tD calculates the following quantities:
 Quantity   
 Description  
tD.value
the TORSION involving these atomstE: TORSIONCalculate one or multiple torsional angles. More details VECTOR1You should use VECTORA instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=74,78 AXIStwo atoms that define an axis=78,109 VECTOR2You should use VECTORB instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=109,124
The TORSION action with label tE calculates the following quantities:
 Quantity   
 Description  
tE.value
the TORSION involving these atomstF: TORSIONCalculate one or multiple torsional angles. More details VECTOR1You should use VECTORA instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=78,109 AXIStwo atoms that define an axis=109,124 VECTOR2You should use VECTORB instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=124,120
The TORSION action with label tF calculates the following quantities:
 Quantity   
 Description  
tF.value
the TORSION involving these atomsPRINTPrint 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_1
The PRINT action with label  calculates somethingENDPLUMEDTerminate plumed input. More details