PLUMED-NEST

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed24.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
=1519,1513 
AXIS
two atoms that define an axis
=1513,1534 
VECTOR2
two atoms that define a vector
=1534,1540
The TORSION action with label tA calculates a scalar quantitytB: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1532,1521 
AXIS
two atoms that define an axis
=1521,1514 
VECTOR2
two atoms that define a vector
=1514,1542
The TORSION action with label tB calculates a scalar quantitytC: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1521,1514 
AXIS
two atoms that define an axis
=1514,1542 
VECTOR2
two atoms that define a vector
=1542,1554
The TORSION action with label tC calculates a scalar quantitytD: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1521,1530 
AXIS
two atoms that define an axis
=1530,1524 
VECTOR2
two atoms that define a vector
=1524,1517
The TORSION action with label tD calculates a scalar quantitytE: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1523,1527 
AXIS
two atoms that define an axis
=1527,1558 
VECTOR2
two atoms that define a vector
=1558,1573
The TORSION action with label tE calculates a scalar quantitytF: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1527,1558 
AXIS
two atoms that define an axis
=1558,1573 
VECTOR2
two atoms that define a vector
=1573,1569
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_24
ENDPLUMED
Terminate plumed input. More details