PLUMED-NEST

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed21.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
=1330,1324 
AXIS
two atoms that define an axis
=1324,1345 
VECTOR2
two atoms that define a vector
=1345,1351
The TORSION action with label tA calculates a scalar quantitytB: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1343,1332 
AXIS
two atoms that define an axis
=1332,1325 
VECTOR2
two atoms that define a vector
=1325,1353
The TORSION action with label tB calculates a scalar quantitytC: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1332,1325 
AXIS
two atoms that define an axis
=1325,1353 
VECTOR2
two atoms that define a vector
=1353,1365
The TORSION action with label tC calculates a scalar quantitytD: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1332,1341 
AXIS
two atoms that define an axis
=1341,1335 
VECTOR2
two atoms that define a vector
=1335,1328
The TORSION action with label tD calculates a scalar quantitytE: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1334,1338 
AXIS
two atoms that define an axis
=1338,1369 
VECTOR2
two atoms that define a vector
=1369,1384
The TORSION action with label tE calculates a scalar quantitytF: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1338,1369 
AXIS
two atoms that define an axis
=1369,1384 
VECTOR2
two atoms that define a vector
=1384,1380
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_21
ENDPLUMED
Terminate plumed input. More details