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: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=70,64 
AXIS
two atoms that define an axis
=64,85 
VECTOR2
two atoms that define a vector
=85,91
The TORSION action with label tA calculates a scalar quantitytB: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=83,72 
AXIS
two atoms that define an axis
=72,65 
VECTOR2
two atoms that define a vector
=65,93
The TORSION action with label tB calculates a scalar quantitytC: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=72,65 
AXIS
two atoms that define an axis
=65,93 
VECTOR2
two atoms that define a vector
=93,105
The TORSION action with label tC calculates a scalar quantitytD: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=72,81 
AXIS
two atoms that define an axis
=81,75 
VECTOR2
two atoms that define a vector
=75,68
The TORSION action with label tD calculates a scalar quantitytE: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=74,78 
AXIS
two atoms that define an axis
=78,109 
VECTOR2
two atoms that define a vector
=109,124
The TORSION action with label tE calculates a scalar quantitytF: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=78,109 
AXIS
two atoms that define an axis
=109,124 
VECTOR2
two atoms that define a vector
=124,120
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_1
ENDPLUMED
Terminate plumed input. More details