PLUMED-NEST

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed14.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=889,883 AXIStwo atoms that define an axis=883,904 VECTOR2You should use VECTORB instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=904,910
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=902,891 AXIStwo atoms that define an axis=891,884 VECTOR2You should use VECTORB instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=884,912
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=891,884 AXIStwo atoms that define an axis=884,912 VECTOR2You should use VECTORB instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=912,924
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=891,900 AXIStwo atoms that define an axis=900,894 VECTOR2You should use VECTORB instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=894,887
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=893,897 AXIStwo atoms that define an axis=897,928 VECTOR2You should use VECTORB instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=928,943
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=897,928 AXIStwo atoms that define an axis=928,943 VECTOR2You should use VECTORB instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=943,939
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_14
The PRINT action with label  calculates somethingENDPLUMEDTerminate plumed input. More details