PLUMED-NEST

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed16.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
=1015,1009 
AXIS
two atoms that define an axis
=1009,1030 
VECTOR2
two atoms that define a vector
=1030,1036
The TORSION action with label tA calculates a scalar quantitytB: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1028,1017 
AXIS
two atoms that define an axis
=1017,1010 
VECTOR2
two atoms that define a vector
=1010,1038
The TORSION action with label tB calculates a scalar quantitytC: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1017,1010 
AXIS
two atoms that define an axis
=1010,1038 
VECTOR2
two atoms that define a vector
=1038,1050
The TORSION action with label tC calculates a scalar quantitytD: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1017,1026 
AXIS
two atoms that define an axis
=1026,1020 
VECTOR2
two atoms that define a vector
=1020,1013
The TORSION action with label tD calculates a scalar quantitytE: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1019,1023 
AXIS
two atoms that define an axis
=1023,1054 
VECTOR2
two atoms that define a vector
=1054,1069
The TORSION action with label tE calculates a scalar quantitytF: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1023,1054 
AXIS
two atoms that define an axis
=1054,1069 
VECTOR2
two atoms that define a vector
=1069,1065
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_16
ENDPLUMED
Terminate plumed input. More details