PLUMED-NEST

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed0.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
=7,1 
AXIS
two atoms that define an axis
=1,22 
VECTOR2
two atoms that define a vector
=22,28
The TORSION action with label tA calculates a scalar quantitytB: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=20,9 
AXIS
two atoms that define an axis
=9,2 
VECTOR2
two atoms that define a vector
=2,30
The TORSION action with label tB calculates a scalar quantitytC: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=9,2 
AXIS
two atoms that define an axis
=2,30 
VECTOR2
two atoms that define a vector
=30,42
The TORSION action with label tC calculates a scalar quantitytD: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=9,18 
AXIS
two atoms that define an axis
=18,12 
VECTOR2
two atoms that define a vector
=12,5
The TORSION action with label tD calculates a scalar quantitytE: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=11,15 
AXIS
two atoms that define an axis
=15,46 
VECTOR2
two atoms that define a vector
=46,61
The TORSION action with label tE calculates a scalar quantitytF: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=15,46 
AXIS
two atoms that define an axis
=46,61 
VECTOR2
two atoms that define a vector
=61,57
The TORSION action with label tF calculates a scalar quantity
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_0
ENDPLUMED
Terminate plumed input. More details