PLUMED-NEST

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed26.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
=1645,1639 
AXIS
two atoms that define an axis
=1639,1660 
VECTOR2
two atoms that define a vector
=1660,1666
The TORSION action with label tA calculates a scalar quantitytB: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1658,1647 
AXIS
two atoms that define an axis
=1647,1640 
VECTOR2
two atoms that define a vector
=1640,1668
The TORSION action with label tB calculates a scalar quantitytC: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1647,1640 
AXIS
two atoms that define an axis
=1640,1668 
VECTOR2
two atoms that define a vector
=1668,1680
The TORSION action with label tC calculates a scalar quantitytD: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1647,1656 
AXIS
two atoms that define an axis
=1656,1650 
VECTOR2
two atoms that define a vector
=1650,1643
The TORSION action with label tD calculates a scalar quantitytE: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1649,1653 
AXIS
two atoms that define an axis
=1653,1684 
VECTOR2
two atoms that define a vector
=1684,1699
The TORSION action with label tE calculates a scalar quantitytF: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1653,1684 
AXIS
two atoms that define an axis
=1684,1699 
VECTOR2
two atoms that define a vector
=1699,1695
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_26
ENDPLUMED
Terminate plumed input. More details