PLUMED-NEST-TEST-SITE

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed17.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: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1078,1072 
AXIS
two atoms that define an axis
=1072,1093 
VECTOR2
two atoms that define a vector
=1093,1099
The TORSION action with label tA calculates the following quantities:
 Quantity   
 Description  
tA.value
the TORSION involving these atomstB: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1091,1080 
AXIS
two atoms that define an axis
=1080,1073 
VECTOR2
two atoms that define a vector
=1073,1101
The TORSION action with label tB calculates the following quantities:
 Quantity   
 Description  
tB.value
the TORSION involving these atomstC: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1080,1073 
AXIS
two atoms that define an axis
=1073,1101 
VECTOR2
two atoms that define a vector
=1101,1113
The TORSION action with label tC calculates the following quantities:
 Quantity   
 Description  
tC.value
the TORSION involving these atomstD: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1080,1089 
AXIS
two atoms that define an axis
=1089,1083 
VECTOR2
two atoms that define a vector
=1083,1076
The TORSION action with label tD calculates the following quantities:
 Quantity   
 Description  
tD.value
the TORSION involving these atomstE: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1082,1086 
AXIS
two atoms that define an axis
=1086,1117 
VECTOR2
two atoms that define a vector
=1117,1132
The TORSION action with label tE calculates the following quantities:
 Quantity   
 Description  
tE.value
the TORSION involving these atomstF: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1086,1117 
AXIS
two atoms that define an axis
=1117,1132 
VECTOR2
two atoms that define a vector
=1132,1128
The TORSION action with label tF calculates the following quantities:
 Quantity   
 Description  
tF.value
the TORSION involving these atoms
PRINT
Print quantities to a file. More details
 
ARG
the input for this action is the scalar output from one or more other actions
=tA,tB,tC,tD,tE,tF 
FILE
the name of the file on which to output these quantities
=cluster_data_17
The PRINT action with label  calculates something
ENDPLUMED
Terminate plumed input. More details