PLUMED-NEST

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed23.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
=1456,1450 
AXIS
two atoms that define an axis
=1450,1471 
VECTOR2
two atoms that define a vector
=1471,1477
The TORSION action with label tA calculates a scalar quantitytB: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1469,1458 
AXIS
two atoms that define an axis
=1458,1451 
VECTOR2
two atoms that define a vector
=1451,1479
The TORSION action with label tB calculates a scalar quantitytC: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1458,1451 
AXIS
two atoms that define an axis
=1451,1479 
VECTOR2
two atoms that define a vector
=1479,1491
The TORSION action with label tC calculates a scalar quantitytD: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1458,1467 
AXIS
two atoms that define an axis
=1467,1461 
VECTOR2
two atoms that define a vector
=1461,1454
The TORSION action with label tD calculates a scalar quantitytE: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1460,1464 
AXIS
two atoms that define an axis
=1464,1495 
VECTOR2
two atoms that define a vector
=1495,1510
The TORSION action with label tE calculates a scalar quantitytF: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1464,1495 
AXIS
two atoms that define an axis
=1495,1510 
VECTOR2
two atoms that define a vector
=1510,1506
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_23
ENDPLUMED
Terminate plumed input. More details