PLUMED-NEST

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed22.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
=1393,1387 
AXIS
two atoms that define an axis
=1387,1408 
VECTOR2
two atoms that define a vector
=1408,1414
The TORSION action with label tA calculates a scalar quantitytB: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1406,1395 
AXIS
two atoms that define an axis
=1395,1388 
VECTOR2
two atoms that define a vector
=1388,1416
The TORSION action with label tB calculates a scalar quantitytC: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1395,1388 
AXIS
two atoms that define an axis
=1388,1416 
VECTOR2
two atoms that define a vector
=1416,1428
The TORSION action with label tC calculates a scalar quantitytD: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1395,1404 
AXIS
two atoms that define an axis
=1404,1398 
VECTOR2
two atoms that define a vector
=1398,1391
The TORSION action with label tD calculates a scalar quantitytE: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1397,1401 
AXIS
two atoms that define an axis
=1401,1432 
VECTOR2
two atoms that define a vector
=1432,1447
The TORSION action with label tE calculates a scalar quantitytF: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1401,1432 
AXIS
two atoms that define an axis
=1432,1447 
VECTOR2
two atoms that define a vector
=1447,1443
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_22
ENDPLUMED
Terminate plumed input. More details