PLUMED-NEST

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed25.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
=1582,1576 
AXIS
two atoms that define an axis
=1576,1597 
VECTOR2
two atoms that define a vector
=1597,1603
The TORSION action with label tA calculates a scalar quantitytB: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1595,1584 
AXIS
two atoms that define an axis
=1584,1577 
VECTOR2
two atoms that define a vector
=1577,1605
The TORSION action with label tB calculates a scalar quantitytC: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1584,1577 
AXIS
two atoms that define an axis
=1577,1605 
VECTOR2
two atoms that define a vector
=1605,1617
The TORSION action with label tC calculates a scalar quantitytD: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1584,1593 
AXIS
two atoms that define an axis
=1593,1587 
VECTOR2
two atoms that define a vector
=1587,1580
The TORSION action with label tD calculates a scalar quantitytE: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1586,1590 
AXIS
two atoms that define an axis
=1590,1621 
VECTOR2
two atoms that define a vector
=1621,1636
The TORSION action with label tE calculates a scalar quantitytF: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1590,1621 
AXIS
two atoms that define an axis
=1621,1636 
VECTOR2
two atoms that define a vector
=1636,1632
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_25
ENDPLUMED
Terminate plumed input. More details